8OI5

Crystal structure of the Candida albicans 80S ribosome in complex with Paromomycin (2mM)


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.90 Å
  • R-Value Free: 0.283 
  • R-Value Work: 0.257 
  • R-Value Observed: 0.257 

wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 


This is version 1.0 of the entry. See complete history


Literature

Drug-induced rotational movement of the ribosome is a key factor for read-through enhancement

Kolosova, O.Zgadzay, Y.Yusupov, M.

To be published.

Macromolecules

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Entity ID: 4
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L2-BD [auth j],
DC [auth AW]
254Candida albicansMutation(s): 0 
UniProt
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Entity ID: 5
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L3E [auth k],
EC [auth AX]
389Candida albicansMutation(s): 0 
UniProt
Find proteins for Q59LS1 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 6
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L4-BF [auth l],
FC [auth AY]
363Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A8H6F4H4 (Candida albicans)
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Entity ID: 7
MoleculeChains Sequence LengthOrganismDetailsImage
Uncharacterized protein CaJ7.0206G [auth m],
GC [auth AZ]
298Candida albicansMutation(s): 0 
UniProt
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Entity ID: 8
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L6H [auth n],
HC [auth BA]
176Candida albicansMutation(s): 0 
UniProt
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Entity ID: 9
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L7-AI [auth o],
IC [auth BB]
241Candida albicansMutation(s): 0 
UniProt
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Entity ID: 10
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L8J [auth p],
JC [auth BC]
262Candida albicansMutation(s): 0 
UniProt
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Entity ID: 11
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L9-BK [auth q],
KC [auth BD]
191Candida albicansMutation(s): 0 
UniProt
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Entity ID: 12
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L10L [auth r],
LC [auth BE]
220Candida albicansMutation(s): 0 
UniProt
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Entity ID: 13
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L11-BM [auth s],
MC [auth BF]
174Candida albicansMutation(s): 0 
UniProt
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Entity ID: 14
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L13N [auth t],
NC [auth BG]
202Candida albicansMutation(s): 0 
UniProt
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Entity ID: 15
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L14-BO [auth u],
OC [auth BH]
131Candida albicansMutation(s): 0 
UniProt
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Entity ID: 16
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L15-AP [auth v],
PC [auth BI]
204Candida albicansMutation(s): 0 
UniProt
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Entity ID: 17
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein L13Q [auth w],
QC [auth BJ]
200Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A8H6BZ56 (Candida albicans)
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Entity ID: 18
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein L22R [auth x],
RC [auth BK]
185Candida albicansMutation(s): 0 
UniProt
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Entity ID: 19
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L18-AS [auth y],
SC [auth BL]
186Candida albicansMutation(s): 0 
UniProt
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Entity ID: 20
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L19-AT [auth z],
TC [auth BM]
190Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PK40 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 21
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L20U [auth 0],
UC [auth BN]
172Candida albicansMutation(s): 0 
UniProt
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Entity ID: 22
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L21-AV [auth 2],
VC [auth BO]
160Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A8H6F1C8 (Candida albicans)
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Entity ID: 23
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L22-BW [auth 5],
WC [auth BP]
124Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PM41 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 24
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L23-AX [auth 6],
XC [auth BQ]
137Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A8H6C444 (Candida albicans)
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Entity ID: 25
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L24-AY [auth 7],
YC [auth BR]
155Candida albicansMutation(s): 0 
UniProt
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Entity ID: 26
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L25Z [auth 8],
ZC [auth BS]
142Candida albicansMutation(s): 0 
UniProt
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Entity ID: 27
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein L24AA [auth 9],
AD [auth BT]
127Candida albicansMutation(s): 0 
UniProt
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Entity ID: 28
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L27BA [auth AA],
BD [auth BU]
136Candida albicansMutation(s): 0 
UniProt
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Entity ID: 29
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L28CA [auth AB],
CD [auth BV]
149Candida albicansMutation(s): 0 
UniProt
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Entity ID: 30
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L29DA [auth AC],
DD [auth BW]
63Candida albicansMutation(s): 0 
UniProt
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Entity ID: 31
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L30EA [auth AD],
ED [auth BX]
106Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PM75 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 32
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L31-BFA [auth AE],
FD [auth BY]
112Candida albicansMutation(s): 0 
UniProt
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Entity ID: 33
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L32GA [auth AF],
GD [auth BZ]
131Candida albicansMutation(s): 0 
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Entity ID: 34
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L33-AHA [auth AG],
HD [auth CA]
107Candida albicansMutation(s): 0 
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Entity ID: 35
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L34-BIA [auth AH],
ID [auth CB]
122Candida albicansMutation(s): 0 
UniProt
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Entity ID: 36
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein L29JA [auth AI],
JD [auth CC]
120Candida albicansMutation(s): 0 
UniProt
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Entity ID: 37
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L36KA [auth AJ],
KD [auth CD]
99Candida albicansMutation(s): 0 
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Entity ID: 38
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L37-BLA [auth AK],
LD [auth CE]
90Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PF45 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 39
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L38MA [auth AL],
MD [auth CF]
78Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PG16 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 40
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L39NA [auth AM],
ND [auth CG]
51Candida albicansMutation(s): 0 
UniProt
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Entity ID: 41
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L40-BOA [auth AN],
OD [auth CH]
52Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PL68 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 42
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L41PA [auth AO],
PD [auth CI]
25Candida albicansMutation(s): 0 
UniProt
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Entity ID: 43
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L42-BQA [auth AP],
QD [auth CJ]
106Candida albicansMutation(s): 0 
UniProt
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Entity ID: 44
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L43-ARA [auth AQ],
RD [auth CK]
92Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PP14 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 46
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S0TA [auth C],
TD [auth CN]
261Candida albicansMutation(s): 0 
UniProt
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Entity ID: 47
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S1UA [auth D],
UD [auth CO]
256Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A8H6C387 (Candida albicans)
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Entity ID: 48
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein S5VA [auth E],
VD [auth CP]
249Candida albicansMutation(s): 0 
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Entity ID: 49
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein S3WA [auth F],
WD [auth CQ]
251Candida albicansMutation(s): 0 
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Entity ID: 50
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S4XA [auth G],
XD [auth CR]
262Candida albicansMutation(s): 0 
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Entity ID: 51
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein S7YA [auth H],
YD [auth CS]
225Candida albicansMutation(s): 0 
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Entity ID: 52
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S6ZA [auth I],
ZD [auth CT]
236Candida albicansMutation(s): 0 
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Entity ID: 53
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S7AB [auth J],
AE [auth CU]
186Candida albicansMutation(s): 0 
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Entity ID: 54
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S8BB [auth K],
BE [auth CV]
206Candida albicansMutation(s): 0 
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Entity ID: 55
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein S4CB [auth L],
CE [auth CW]
189Candida albicansMutation(s): 0 
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Entity ID: 56
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S10-ADB [auth M],
DE [auth CX]
118Candida albicansMutation(s): 0 
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Entity ID: 57
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S11AEB [auth N],
EE [auth CY]
155Candida albicansMutation(s): 0 
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Entity ID: 58
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S12FB [auth O],
FE [auth CZ]
143Candida albicansMutation(s): 0 
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Entity ID: 59
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S13GB [auth P],
GE [auth DA]
151Candida albicansMutation(s): 0 
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Entity ID: 60
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S14-AHB [auth Q],
HE [auth DB]
132Candida albicansMutation(s): 0 
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Entity ID: 61
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S15IB [auth R],
IE [auth DC]
142Candida albicansMutation(s): 0 
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Entity ID: 62
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S16JB [auth S],
JE [auth DD]
142Candida albicansMutation(s): 0 
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Entity ID: 63
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S17-BKB [auth T],
KE [auth DE]
137Candida albicansMutation(s): 0 
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Entity ID: 64
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S18-BLB [auth U],
LE [auth DF]
145Candida albicansMutation(s): 0 
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Entity ID: 65
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S19-AMB [auth V],
ME [auth DG]
145Candida albicansMutation(s): 0 
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Entity ID: 66
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein S10NB [auth W],
NE [auth DH]
119Candida albicansMutation(s): 0 
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Entity ID: 67
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S21OB [auth X],
OE [auth DI]
87Candida albicansMutation(s): 0 
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Entity ID: 68
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S22-APB [auth Y],
PE [auth DJ]
130Candida albicansMutation(s): 0 
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Entity ID: 69
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein S23 (S12)QB [auth Z],
QE [auth DK]
145Candida albicansMutation(s): 0 
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Entity ID: 70
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S24RB [auth a],
RE [auth DL]
135Candida albicansMutation(s): 0 
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Entity ID: 71
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S25SB [auth b],
SE [auth DM]
105Candida albicansMutation(s): 0 
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Entity ID: 72
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S26TB [auth c],
TE [auth DN]
119Candida albicansMutation(s): 0 
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Entity ID: 73
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S27UB [auth d],
UE [auth DO]
82Candida albicansMutation(s): 0 
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Entity ID: 74
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S28-BVB [auth e],
VE [auth DP]
67Candida albicansMutation(s): 0 
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Entity ID: 75
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S29AWB [auth f],
WE [auth DQ]
56Candida albicansMutation(s): 0 
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Entity ID: 76
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S30XB [auth g],
XE [auth DR]
63Candida albicansMutation(s): 0 
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Entity ID: 77
MoleculeChains Sequence LengthOrganismDetailsImage
Ubiquitin-40S ribosomal protein S31 fusion proteinYB [auth h]193Candida albicansMutation(s): 0 
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Entity ID: 78
MoleculeChains Sequence LengthOrganismDetailsImage
Guanine nucleotide-binding protein subunit beta-like proteinZB [auth AR]317Candida albicansMutation(s): 0 
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Entity ID: 79
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein CAALFM_C304810CAYE [auth i],
ZE [auth CL]
267Candida albicansMutation(s): 0 
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Entity ID: 1
MoleculeChains LengthOrganismImage
25SA [auth 1],
AC [auth AS]
3,359Candida albicans
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Entity ID: 2
MoleculeChains LengthOrganismImage
5SB [auth 3],
BC [auth AT]
121Candida albicans
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Entity ID: 3
MoleculeChains LengthOrganismImage
5.8SC [auth 4],
CC [auth AU]
158Candida albicans
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Entity ID: 45
MoleculeChains LengthOrganismImage
18SSA [auth B],
SD [auth CM]
1,787Candida albicans
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Small Molecules
Ligands 4 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
3K5
Query on 3K5

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AF [auth 1]3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose
C40 H52 O17
VOTNXJVGRXZYOA-XFJWYURVSA-N
PAR (Subject of Investigation/LOI)
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ABA [auth AS]
AG [auth 1]
BBA [auth AS]
BF [auth 1]
BG [auth 1]
ABA [auth AS],
AG [auth 1],
BBA [auth AS],
BF [auth 1],
BG [auth 1],
CF [auth 1],
CG [auth 1],
DF [auth 1],
DG [auth 1],
EF [auth 1],
FF [auth 1],
GF [auth 1],
HF [auth 1],
IF [auth 1],
JF [auth 1],
KF [auth 1],
LF [auth 1],
LOA [auth CM],
MF [auth 1],
MOA [auth CM],
NF [auth 1],
NOA [auth CM],
NT [auth 4],
OF [auth 1],
OOA [auth CM],
OT [auth 4],
PAA [auth AS],
PF [auth 1],
POA [auth CM],
QAA [auth AS],
QF [auth 1],
QOA [auth CM],
QU [auth B],
RAA [auth AS],
RF [auth 1],
RU [auth B],
SAA [auth AS],
SF [auth 1],
SU [auth B],
TAA [auth AS],
TF [auth 1],
TU [auth B],
UAA [auth AS],
UF [auth 1],
UU [auth B],
VAA [auth AS],
VF [auth 1],
WAA [auth AS],
WF [auth 1],
XAA [auth AS],
XF [auth 1],
YAA [auth AS],
YF [auth 1],
ZAA [auth AS],
ZF [auth 1]
PAROMOMYCIN
C23 H45 N5 O14
UOZODPSAJZTQNH-LSWIJEOBSA-N
ZN
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EUA [auth DN]
FOA [auth CB]
FUA [auth DO]
GOA [auth CE]
GUA [auth DQ]
EUA [auth DN],
FOA [auth CB],
FUA [auth DO],
GOA [auth CE],
GUA [auth DQ],
HOA [auth CH],
IOA [auth CJ],
IU [auth AH],
JU [auth AK],
KAA [auth c],
KOA [auth CK],
LAA [auth d],
LU [auth AN],
MAA [auth f],
MU [auth AP],
OAA [auth h],
PU [auth AQ]
ZINC ION
Zn
PTFCDOFLOPIGGS-UHFFFAOYSA-N
MG
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AAA [auth B]
ACA [auth AS]
ADA [auth AS]
AEA [auth AS]
AFA [auth AS]
AAA [auth B],
ACA [auth AS],
ADA [auth AS],
AEA [auth AS],
AFA [auth AS],
AGA [auth AS],
AH [auth 1],
AHA [auth AS],
AI [auth 1],
AIA [auth AS],
AJ [auth 1],
AJA [auth AS],
AK [auth 1],
AKA [auth AS],
AL [auth 1],
ALA [auth AS],
AM [auth 1],
AMA [auth AS],
AN [auth 1],
ANA [auth AS],
AO [auth 1],
AOA [auth AW],
AP [auth 1],
APA [auth CM],
AQ [auth 1],
AQA [auth CM],
AR [auth 1],
ARA [auth CM],
AS [auth 1],
ASA [auth CM],
AT [auth 1],
ATA [auth CM],
AU [auth v],
AUA [auth CR],
AV [auth B],
AW [auth B],
AX [auth B],
AY [auth B],
AZ [auth B],
BAA [auth B],
BCA [auth AS],
BDA [auth AS],
BEA [auth AS],
BFA [auth AS],
BGA [auth AS],
BH [auth 1],
BHA [auth AS],
BI [auth 1],
BIA [auth AS],
BJ [auth 1],
BJA [auth AS],
BK [auth 1],
BKA [auth AS],
BL [auth 1],
BLA [auth AS],
BM [auth 1],
BMA [auth AS],
BN [auth 1],
BNA [auth AS],
BO [auth 1],
BOA [auth AW],
BP [auth 1],
BPA [auth CM],
BQ [auth 1],
BQA [auth CM],
BR [auth 1],
BRA [auth CM],
BS [auth 1],
BSA [auth CM],
BT [auth 1],
BTA [auth CM],
BU [auth v],
BUA [auth DG],
BV [auth B],
BW [auth B],
BX [auth B],
BY [auth B],
BZ [auth B],
CAA [auth B],
CBA [auth AS],
CCA [auth AS],
CDA [auth AS],
CEA [auth AS],
CFA [auth AS],
CGA [auth AS],
CH [auth 1],
CHA [auth AS],
CI [auth 1],
CIA [auth AS],
CJ [auth 1],
CJA [auth AS],
CK [auth 1],
CKA [auth AS],
CL [auth 1],
CLA [auth AS],
CM [auth 1],
CMA [auth AS],
CN [auth 1],
CNA [auth AS],
CO [auth 1],
COA [auth AW],
CP [auth 1],
CPA [auth CM],
CQ [auth 1],
CQA [auth CM],
CR [auth 1],
CRA [auth CM],
CS [auth 1],
CSA [auth CM],
CT [auth 1],
CTA [auth CM],
CU [auth v],
CUA [auth DJ],
CV [auth B],
CW [auth B],
CX [auth B],
CY [auth B],
CZ [auth B],
DAA [auth B],
DBA [auth AS],
DCA [auth AS],
DDA [auth AS],
DEA [auth AS],
DFA [auth AS],
DGA [auth AS],
DH [auth 1],
DHA [auth AS],
DI [auth 1],
DIA [auth AS],
DJ [auth 1],
DJA [auth AS],
DK [auth 1],
DKA [auth AS],
DL [auth 1],
DLA [auth AS],
DM [auth 1],
DMA [auth AS],
DN [auth 1],
DNA [auth AS],
DO [auth 1],
DOA [auth AX],
DP [auth 1],
DPA [auth CM],
DQ [auth 1],
DQA [auth CM],
DR [auth 1],
DRA [auth CM],
DS [auth 1],
DSA [auth CM],
DT [auth 1],
DTA [auth CM],
DU [auth w],
DUA [auth DK],
DV [auth B],
DW [auth B],
DX [auth B],
DY [auth B],
DZ [auth B],
EAA [auth B],
EBA [auth AS],
ECA [auth AS],
EDA [auth AS],
EEA [auth AS],
EFA [auth AS],
EG [auth 1],
EGA [auth AS],
EH [auth 1],
EHA [auth AS],
EI [auth 1],
EIA [auth AS],
EJ [auth 1],
EJA [auth AS],
EK [auth 1],
EKA [auth AS],
EL [auth 1],
ELA [auth AS],
EM [auth 1],
EMA [auth AS],
EN [auth 1],
ENA [auth AS],
EO [auth 1],
EOA [auth AY],
EP [auth 1],
EPA [auth CM],
EQ [auth 1],
EQA [auth CM],
ER [auth 1],
ERA [auth CM],
ES [auth 1],
ESA [auth CM],
ET [auth 1],
ETA [auth CM],
EU [auth x],
EV [auth B],
EW [auth B],
EX [auth B],
EY [auth B],
EZ [auth B],
FAA [auth C],
FBA [auth AS],
FCA [auth AS],
FDA [auth AS],
FEA [auth AS],
FFA [auth AS],
FG [auth 1],
FGA [auth AS],
FH [auth 1],
FHA [auth AS],
FI [auth 1],
FIA [auth AS],
FJ [auth 1],
FJA [auth AS],
FK [auth 1],
FKA [auth AS],
FL [auth 1],
FLA [auth AS],
FM [auth 1],
FMA [auth AS],
FN [auth 1],
FNA [auth AS],
FO [auth 1],
FP [auth 1],
FPA [auth CM],
FQ [auth 1],
FQA [auth CM],
FR [auth 1],
FRA [auth CM],
FS [auth 1],
FSA [auth CM],
FT [auth 1],
FTA [auth CM],
FU [auth 6],
FV [auth B],
FW [auth B],
FX [auth B],
FY [auth B],
FZ [auth B],
GAA [auth E],
GBA [auth AS],
GCA [auth AS],
GDA [auth AS],
GEA [auth AS],
GFA [auth AS],
GG [auth 1],
GGA [auth AS],
GH [auth 1],
GHA [auth AS],
GI [auth 1],
GIA [auth AS],
GJ [auth 1],
GJA [auth AS],
GK [auth 1],
GKA [auth AS],
GL [auth 1],
GLA [auth AS],
GM [auth 1],
GMA [auth AS],
GN [auth 1],
GNA [auth AS],
GO [auth 1],
GP [auth 1],
GPA [auth CM],
GQ [auth 1],
GQA [auth CM],
GR [auth 1],
GRA [auth CM],
GS [auth 1],
GSA [auth CM],
GT [auth 1],
GTA [auth CM],
GU [auth 6],
GV [auth B],
GW [auth B],
GX [auth B],
GY [auth B],
GZ [auth B],
HAA [auth F],
HBA [auth AS],
HCA [auth AS],
HDA [auth AS],
HEA [auth AS],
HFA [auth AS],
HG [auth 1],
HGA [auth AS],
HH [auth 1],
HHA [auth AS],
HI [auth 1],
HIA [auth AS],
HJ [auth 1],
HJA [auth AS],
HK [auth 1],
HKA [auth AS],
HL [auth 1],
HLA [auth AS],
HM [auth 1],
HMA [auth AS],
HN [auth 1],
HNA [auth AS],
HO [auth 1],
HP [auth 1],
HPA [auth CM],
HQ [auth 1],
HQA [auth CM],
HR [auth 1],
HRA [auth CM],
HS [auth 1],
HSA [auth CM],
HT [auth 1],
HTA [auth CM],
HU [auth AB],
HUA [auth CL],
HV [auth B],
HW [auth B],
HX [auth B],
HY [auth B],
HZ [auth B],
IAA [auth G],
IBA [auth AS],
ICA [auth AS],
IDA [auth AS],
IEA [auth AS],
IFA [auth AS],
IG [auth 1],
IGA [auth AS],
IH [auth 1],
IHA [auth AS],
II [auth 1],
IIA [auth AS],
IJ [auth 1],
IJA [auth AS],
IK [auth 1],
IKA [auth AS],
IL [auth 1],
ILA [auth AS],
IM [auth 1],
IMA [auth AS],
IN [auth 1],
INA [auth AS],
IO [auth 1],
IP [auth 1],
IPA [auth CM],
IQ [auth 1],
IQA [auth CM],
IR [auth 1],
IRA [auth CM],
IS [auth 1],
ISA [auth CM],
IT [auth 1],
ITA [auth CM],
IV [auth B],
IW [auth B],
IX [auth B],
IY [auth B],
IZ [auth B],
JAA [auth K],
JBA [auth AS],
JCA [auth AS],
JDA [auth AS],
JEA [auth AS],
JFA [auth AS],
JG [auth 1],
JGA [auth AS],
JH [auth 1],
JHA [auth AS],
JI [auth 1],
JIA [auth AS],
JJ [auth 1],
JJA [auth AS],
JK [auth 1],
JKA [auth AS],
JL [auth 1],
JLA [auth AS],
JM [auth 1],
JMA [auth AS],
JN [auth 1],
JNA [auth AS],
JO [auth 1],
JOA [auth CJ],
JP [auth 1],
JPA [auth CM],
JQ [auth 1],
JQA [auth CM],
JR [auth 1],
JRA [auth CM],
JS [auth 1],
JSA [auth CM],
JT [auth 1],
JTA [auth CM],
JV [auth B],
JW [auth B],
JX [auth B],
JY [auth B],
JZ [auth B],
KBA [auth AS],
KCA [auth AS],
KDA [auth AS],
KEA [auth AS],
KFA [auth AS],
KG [auth 1],
KGA [auth AS],
KH [auth 1],
KHA [auth AS],
KI [auth 1],
KIA [auth AS],
KJ [auth 1],
KJA [auth AS],
KK [auth 1],
KKA [auth AS],
KL [auth 1],
KLA [auth AS],
KM [auth 1],
KMA [auth AS],
KN [auth 1],
KNA [auth AS],
KO [auth 1],
KP [auth 1],
KPA [auth CM],
KQ [auth 1],
KQA [auth CM],
KR [auth 1],
KRA [auth CM],
KS [auth 1],
KSA [auth CM],
KT [auth 1],
KTA [auth CM],
KU [auth AL],
KV [auth B],
KW [auth B],
KX [auth B],
KY [auth B],
KZ [auth B],
LBA [auth AS],
LCA [auth AS],
LDA [auth AS],
LEA [auth AS],
LFA [auth AS],
LG [auth 1],
LGA [auth AS],
LH [auth 1],
LHA [auth AS],
LI [auth 1],
LIA [auth AS],
LJ [auth 1],
LJA [auth AS],
LK [auth 1],
LKA [auth AS],
LL [auth 1],
LLA [auth AS],
LM [auth 1],
LMA [auth AS],
LN [auth 1],
LNA [auth AS],
LO [auth 1],
LP [auth 1],
LPA [auth CM],
LQ [auth 1],
LQA [auth CM],
LR [auth 1],
LRA [auth CM],
LS [auth 1],
LSA [auth CM],
LT [auth 1],
LTA [auth CM],
LV [auth B],
LW [auth B],
LX [auth B],
LY [auth B],
LZ [auth B],
MBA [auth AS],
MCA [auth AS],
MDA [auth AS],
MEA [auth AS],
MFA [auth AS],
MG [auth 1],
MGA [auth AS],
MH [auth 1],
MHA [auth AS],
MI [auth 1],
MIA [auth AS],
MJ [auth 1],
MJA [auth AS],
MK [auth 1],
MKA [auth AS],
ML [auth 1],
MLA [auth AS],
MM [auth 1],
MMA [auth AS],
MN [auth 1],
MNA [auth AS],
MO [auth 1],
MP [auth 1],
MPA [auth CM],
MQ [auth 1],
MQA [auth CM],
MR [auth 1],
MRA [auth CM],
MS [auth 1],
MSA [auth CM],
MT [auth 3],
MTA [auth CM],
MV [auth B],
MW [auth B],
MX [auth B],
MY [auth B],
MZ [auth B],
NAA [auth f],
NBA [auth AS],
NCA [auth AS],
NDA [auth AS],
NEA [auth AS],
NFA [auth AS],
NG [auth 1],
NGA [auth AS],
NH [auth 1],
NHA [auth AS],
NI [auth 1],
NIA [auth AS],
NJ [auth 1],
NJA [auth AS],
NK [auth 1],
NKA [auth AS],
NL [auth 1],
NLA [auth AS],
NM [auth 1],
NMA [auth AS],
NN [auth 1],
NNA [auth AS],
NO [auth 1],
NP [auth 1],
NPA [auth CM],
NQ [auth 1],
NQA [auth CM],
NR [auth 1],
NRA [auth CM],
NS [auth 1],
NSA [auth CM],
NTA [auth CM],
NU [auth AP],
NV [auth B],
NW [auth B],
NX [auth B],
NY [auth B],
NZ [auth B],
OBA [auth AS],
OCA [auth AS],
ODA [auth AS],
OEA [auth AS],
OFA [auth AS],
OG [auth 1],
OGA [auth AS],
OH [auth 1],
OHA [auth AS],
OI [auth 1],
OIA [auth AS],
OJ [auth 1],
OJA [auth AS],
OK [auth 1],
OKA [auth AS],
OL [auth 1],
OLA [auth AS],
OM [auth 1],
OMA [auth AS],
ON [auth 1],
ONA [auth AS],
OO [auth 1],
OP [auth 1],
OPA [auth CM],
OQ [auth 1],
OQA [auth CM],
OR [auth 1],
ORA [auth CM],
OS [auth 1],
OSA [auth CM],
OTA [auth CM],
OU [auth AP],
OV [auth B],
OW [auth B],
OX [auth B],
OY [auth B],
OZ [auth B],
PBA [auth AS],
PCA [auth AS],
PDA [auth AS],
PEA [auth AS],
PFA [auth AS],
PG [auth 1],
PGA [auth AS],
PH [auth 1],
PHA [auth AS],
PI [auth 1],
PIA [auth AS],
PJ [auth 1],
PJA [auth AS],
PK [auth 1],
PKA [auth AS],
PL [auth 1],
PLA [auth AS],
PM [auth 1],
PMA [auth AS],
PN [auth 1],
PNA [auth AS],
PO [auth 1],
PP [auth 1],
PPA [auth CM],
PQ [auth 1],
PQA [auth CM],
PR [auth 1],
PRA [auth CM],
PS [auth 1],
PSA [auth CM],
PT [auth 4],
PTA [auth CM],
PV [auth B],
PW [auth B],
PX [auth B],
PY [auth B],
PZ [auth B],
QBA [auth AS],
QCA [auth AS],
QDA [auth AS],
QEA [auth AS],
QFA [auth AS],
QG [auth 1],
QGA [auth AS],
QH [auth 1],
QHA [auth AS],
QI [auth 1],
QIA [auth AS],
QJ [auth 1],
QJA [auth AS],
QK [auth 1],
QKA [auth AS],
QL [auth 1],
QLA [auth AS],
QM [auth 1],
QMA [auth AS],
QN [auth 1],
QNA [auth AS],
QO [auth 1],
QP [auth 1],
QPA [auth CM],
QQ [auth 1],
QQA [auth CM],
QR [auth 1],
QRA [auth CM],
QS [auth 1],
QSA [auth CM],
QT [auth 4],
QTA [auth CM],
QV [auth B],
QW [auth B],
QX [auth B],
QY [auth B],
QZ [auth B],
RBA [auth AS],
RCA [auth AS],
RDA [auth AS],
REA [auth AS],
RFA [auth AS],
RG [auth 1],
RGA [auth AS],
RH [auth 1],
RHA [auth AS],
RI [auth 1],
RIA [auth AS],
RJ [auth 1],
RJA [auth AS],
RK [auth 1],
RKA [auth AS],
RL [auth 1],
RLA [auth AS],
RM [auth 1],
RMA [auth AS],
RN [auth 1],
RNA [auth AS],
RO [auth 1],
ROA [auth CM],
RP [auth 1],
RPA [auth CM],
RQ [auth 1],
RQA [auth CM],
RR [auth 1],
RRA [auth CM],
RS [auth 1],
RSA [auth CM],
RT [auth 4],
RTA [auth CM],
RV [auth B],
RW [auth B],
RX [auth B],
RY [auth B],
RZ [auth B],
SBA [auth AS],
SCA [auth AS],
SDA [auth AS],
SEA [auth AS],
SFA [auth AS],
SG [auth 1],
SGA [auth AS],
SH [auth 1],
SHA [auth AS],
SI [auth 1],
SIA [auth AS],
SJ [auth 1],
SJA [auth AS],
SK [auth 1],
SKA [auth AS],
SL [auth 1],
SLA [auth AS],
SM [auth 1],
SMA [auth AS],
SN [auth 1],
SNA [auth AS],
SO [auth 1],
SOA [auth CM],
SP [auth 1],
SPA [auth CM],
SQ [auth 1],
SQA [auth CM],
SR [auth 1],
SRA [auth CM],
SS [auth 1],
SSA [auth CM],
ST [auth 4],
STA [auth CM],
SV [auth B],
SW [auth B],
SX [auth B],
SY [auth B],
SZ [auth B],
TBA [auth AS],
TCA [auth AS],
TDA [auth AS],
TEA [auth AS],
TFA [auth AS],
TG [auth 1],
TGA [auth AS],
TH [auth 1],
THA [auth AS],
TI [auth 1],
TIA [auth AS],
TJ [auth 1],
TJA [auth AS],
TK [auth 1],
TKA [auth AS],
TL [auth 1],
TLA [auth AS],
TM [auth 1],
TMA [auth AS],
TN [auth 1],
TNA [auth AS],
TO [auth 1],
TOA [auth CM],
TP [auth 1],
TPA [auth CM],
TQ [auth 1],
TQA [auth CM],
TR [auth 1],
TRA [auth CM],
TS [auth 1],
TSA [auth CM],
TT [auth 4],
TTA [auth CM],
TV [auth B],
TW [auth B],
TX [auth B],
TY [auth B],
TZ [auth B],
UBA [auth AS],
UCA [auth AS],
UDA [auth AS],
UEA [auth AS],
UFA [auth AS],
UG [auth 1],
UGA [auth AS],
UH [auth 1],
UHA [auth AS],
UI [auth 1],
UIA [auth AS],
UJ [auth 1],
UJA [auth AS],
UK [auth 1],
UKA [auth AS],
UL [auth 1],
ULA [auth AS],
UM [auth 1],
UMA [auth AS],
UN [auth 1],
UNA [auth AS],
UO [auth 1],
UOA [auth CM],
UP [auth 1],
UPA [auth CM],
UQ [auth 1],
UQA [auth CM],
UR [auth 1],
URA [auth CM],
US [auth 1],
USA [auth CM],
UT [auth 4],
UTA [auth CM],
UV [auth B],
UW [auth B],
UX [auth B],
UY [auth B],
UZ [auth B],
VBA [auth AS],
VCA [auth AS],
VDA [auth AS],
VEA [auth AS],
VFA [auth AS],
VG [auth 1],
VGA [auth AS],
VH [auth 1],
VHA [auth AS],
VI [auth 1],
VIA [auth AS],
VJ [auth 1],
VJA [auth AS],
VK [auth 1],
VKA [auth AS],
VL [auth 1],
VLA [auth AS],
VM [auth 1],
VMA [auth AS],
VN [auth 1],
VNA [auth AS],
VO [auth 1],
VOA [auth CM],
VP [auth 1],
VPA [auth CM],
VQ [auth 1],
VQA [auth CM],
VR [auth 1],
VRA [auth CM],
VS [auth 1],
VSA [auth CM],
VT [auth 4],
VTA [auth CM],
VU [auth B],
VV [auth B],
VW [auth B],
VX [auth B],
VY [auth B],
VZ [auth B],
WBA [auth AS],
WCA [auth AS],
WDA [auth AS],
WEA [auth AS],
WFA [auth AS],
WG [auth 1],
WGA [auth AS],
WH [auth 1],
WHA [auth AS],
WI [auth 1],
WIA [auth AS],
WJ [auth 1],
WJA [auth AS],
WK [auth 1],
WKA [auth AS],
WL [auth 1],
WLA [auth AS],
WM [auth 1],
WMA [auth AS],
WN [auth 1],
WNA [auth AS],
WO [auth 1],
WOA [auth CM],
WP [auth 1],
WPA [auth CM],
WQ [auth 1],
WQA [auth CM],
WR [auth 1],
WRA [auth CM],
WS [auth 1],
WSA [auth CM],
WT [auth j],
WTA [auth CM],
WU [auth B],
WV [auth B],
WW [auth B],
WX [auth B],
WY [auth B],
WZ [auth B],
XBA [auth AS],
XCA [auth AS],
XDA [auth AS],
XEA [auth AS],
XFA [auth AS],
XG [auth 1],
XGA [auth AS],
XH [auth 1],
XHA [auth AS],
XI [auth 1],
XIA [auth AS],
XJ [auth 1],
XJA [auth AS],
XK [auth 1],
XKA [auth AS],
XL [auth 1],
XLA [auth AS],
XM [auth 1],
XMA [auth AS],
XN [auth 1],
XNA [auth AS],
XO [auth 1],
XOA [auth CM],
XP [auth 1],
XPA [auth CM],
XQ [auth 1],
XQA [auth CM],
XR [auth 1],
XRA [auth CM],
XS [auth 1],
XSA [auth CM],
XT [auth p],
XTA [auth CM],
XU [auth B],
XV [auth B],
XW [auth B],
XX [auth B],
XY [auth B],
XZ [auth B],
YBA [auth AS],
YCA [auth AS],
YDA [auth AS],
YEA [auth AS],
YFA [auth AS],
YG [auth 1],
YGA [auth AS],
YH [auth 1],
YHA [auth AS],
YI [auth 1],
YIA [auth AS],
YJ [auth 1],
YJA [auth AS],
YK [auth 1],
YKA [auth AS],
YL [auth 1],
YLA [auth AS],
YM [auth 1],
YMA [auth AS],
YN [auth 1],
YNA [auth AT],
YO [auth 1],
YOA [auth CM],
YP [auth 1],
YPA [auth CM],
YQ [auth 1],
YQA [auth CM],
YR [auth 1],
YRA [auth CM],
YS [auth 1],
YSA [auth CM],
YT [auth v],
YTA [auth CM],
YU [auth B],
YV [auth B],
YW [auth B],
YX [auth B],
YY [auth B],
YZ [auth B],
ZBA [auth AS],
ZCA [auth AS],
ZDA [auth AS],
ZEA [auth AS],
ZFA [auth AS],
ZG [auth 1],
ZGA [auth AS],
ZH [auth 1],
ZHA [auth AS],
ZI [auth 1],
ZIA [auth AS],
ZJ [auth 1],
ZJA [auth AS],
ZK [auth 1],
ZKA [auth AS],
ZL [auth 1],
ZLA [auth AS],
ZM [auth 1],
ZMA [auth AS],
ZN [auth 1],
ZNA [auth AU],
ZO [auth 1],
ZOA [auth CM],
ZP [auth 1],
ZPA [auth CM],
ZQ [auth 1],
ZQA [auth CM],
ZR [auth 1],
ZRA [auth CM],
ZS [auth 1],
ZSA [auth CM],
ZT [auth v],
ZTA [auth CM],
ZU [auth B],
ZV [auth B],
ZW [auth B],
ZX [auth B],
ZY [auth B],
ZZ [auth B]
MAGNESIUM ION
Mg
JLVVSXFLKOJNIY-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.90 Å
  • R-Value Free: 0.283 
  • R-Value Work: 0.257 
  • R-Value Observed: 0.257 
  • Space Group: P 1 21 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 297.3α = 90
b = 292.54β = 99.37
c = 442.98γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
XDSdata reduction
XSCALEdata scaling
PHENIXphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Foundation for Medical Research (France)FranceDEQ20181039600
Foundation for Medical Research (France)FranceDBF20160635745
Foundation for Medical Research (France)FranceFDT202204014886
Russian Science FoundationRussian Federation20-65-47031

Revision History  (Full details and data files)

  • Version 1.0: 2024-10-09
    Type: Initial release