4WZO

Complex of 70S ribosome with tRNA-fMet and mRNA


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.30 Å
  • R-Value Free: 0.258 
  • R-Value Work: 0.191 

Starting Models: experimental
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wwPDB Validation   3D Report Full Report


This is version 2.1 of the entry. See complete history


Literature

Structural insights into the translational infidelity mechanism.

Rozov, A.Demeshkina, N.Westhof, E.Yusupov, M.Yusupova, G.

(2015) Nat Commun 6: 7251-7251

  • DOI: https://doi.org/10.1038/ncomms8251
  • Primary Citation of Related Structures:  
    4WQ1, 4WQR, 4WR6, 4WRA, 4WRO, 4WSD, 4WSM, 4WT1, 4WU1, 4WZD, 4WZO

  • PubMed Abstract: 

    The decoding of mRNA on the ribosome is the least accurate process during genetic information transfer. Here we propose a unified decoding mechanism based on 11 high-resolution X-ray structures of the 70S ribosome that explains the occurrence of missense errors during translation. We determined ribosome structures in rare states where incorrect tRNAs were incorporated into the peptidyl-tRNA-binding site. These structures show that in the codon-anticodon duplex, a G·U mismatch adopts the Watson-Crick geometry, indicating a shift in the tautomeric equilibrium or ionization of the nucleobase. Additional structures with mismatches in the 70S decoding centre show that the binding of any tRNA induces identical rearrangements in the centre, which favours either isosteric or close to the Watson-Crick geometry codon-anticodon pairs. Overall, the results suggest that a mismatch escapes discrimination by preserving the shape of a Watson-Crick pair and indicate that geometric selection via tautomerism or ionization dominates the translational infidelity mechanism.


  • Organizational Affiliation

    Biologie Structurale Intégrative, Institut de Génétique et de Biologie Moléculaire et Cellulaire, Université de Strasbourg; CNRS, UMR7104; INSERM, U964, Illkirch 67400, France.


Macromolecules

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Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S2B [auth 1E],
EB [auth 12]
256Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S3C [auth 2E],
FB [auth 22]
239Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 4
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S4D [auth 3E],
GB [auth 32]
209Thermus thermophilus HB8Mutation(s): 0 
UniProt
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Entity ID: 5
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S5E [auth 4E],
HB [auth 42]
162Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 6
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S6F [auth 5E],
IB [auth 52]
101Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 7
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S7G [auth 6E],
JB [auth 62]
156Thermus thermophilus HB8Mutation(s): 0 
UniProt
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Entity ID: 8
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S8H [auth 7E],
KB [auth 72]
138Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 9
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S9I [auth 8E],
LB [auth 82]
128Thermus thermophilus HB8Mutation(s): 0 
UniProt
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Entity ID: 10
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S10J [auth 1I],
MB [auth 1A]
105Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 11
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S11K [auth 2I],
NB [auth 2A]
129Thermus thermophilus HB8Mutation(s): 0 
UniProt
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Entity ID: 12
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S12L [auth 3I],
OB [auth 3A]
132Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 13
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S13M [auth 4I],
PB [auth 4A]
126Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 14
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S14 type ZN [auth 5I],
QB [auth 5A]
61Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 15
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S15O [auth 6I],
RB [auth 6A]
89Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 16
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S16P [auth 7I],
SB [auth 7A]
88Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 17
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S17Q [auth 8I],
TB [auth 8A]
105Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 18
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S18R [auth 9I],
UB [auth 9A]
88Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 19
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S19S [auth AI],
VB [auth AA]
93Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 20
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein S20T [auth BI],
WB [auth BA]
106Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 21
MoleculeChains Sequence LengthOrganismDetailsImage
30S ribosomal protein ThxU [auth 1F],
XB [auth 1B]
27Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 28
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L1BA [auth 71]229Thermus thermophilusMutation(s): 0 
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Entity ID: 29
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L2CA [auth 11],
DC [auth 19]
276Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 30
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L3DA [auth 21],
EC [auth 29]
206Thermus thermophilus HB8Mutation(s): 0 
UniProt
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Entity ID: 31
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L4EA [auth 31],
FC [auth 39]
210Thermus thermophilus HB8Mutation(s): 0 
UniProt
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Entity ID: 32
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L5FA [auth 41],
GC [auth 49]
182Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 33
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L6GA [auth 51],
HC [auth 59]
180Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 34
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L9HA [auth 61],
IC [auth 69]
148Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 35
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L13IA [auth 58],
JC [auth 15]
140Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 36
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L14JA [auth 68],
KC [auth 25]
122Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 37
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L15KA [auth 78],
LC [auth 35]
150Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 38
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L16LA [auth 88],
MC [auth 45]
141Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 39
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L17MA [auth 98],
NC [auth 55]
118Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 40
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L18NA [auth A8],
OC [auth 65]
112Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 41
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L19OA [auth B8],
PC [auth 75]
146Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 42
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L20PA [auth C8],
QC [auth 85]
118Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 43
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L21QA [auth D8],
RC [auth 95]
101Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 44
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L22RA [auth E8],
SC [auth A5]
113Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 45
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L23SA [auth F8],
TC [auth B5]
96Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 46
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L24TA [auth G8],
UC [auth C5]
110Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 47
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L25UA [auth H8],
VC [auth D5]
206Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 48
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L27VA [auth I8],
WC [auth E5]
85Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 49
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L28WA [auth J8],
XC [auth F5]
98Thermus thermophilus HB8Mutation(s): 0 
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Entity ID: 50
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L29XA [auth K8],
YC [auth G5]
72Thermus thermophilus HB8Mutation(s): 0 
UniProt
Find proteins for Q5SHP6 (Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8))
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UniProt GroupQ5SHP6
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Entity ID: 51
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L30YA [auth L8],
ZC [auth H5]
60Thermus thermophilus HB8Mutation(s): 0 
UniProt
Find proteins for Q5SHQ6 (Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8))
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UniProt GroupQ5SHQ6
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Entity ID: 52
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L31AD [auth I5],
ZA [auth M8]
71Thermus thermophilus HB8Mutation(s): 0 
UniProt
Find proteins for Q5SJE1 (Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8))
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Entity ID: 53
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L32AB [auth N8],
BD [auth J5]
60Thermus thermophilus HB8Mutation(s): 0 
UniProt
Find proteins for P80339 (Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8))
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UniProt GroupP80339
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Entity ID: 54
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L34BB [auth P8],
CD [auth L5]
49Thermus thermophilus HB8Mutation(s): 0 
UniProt
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Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP80340
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Entity ID: 55
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L35CB [auth Q8],
DD [auth M5]
65Thermus thermophilus HB8Mutation(s): 0 
UniProt
Find proteins for Q5SKU1 (Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8))
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Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
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Entity ID: 1
MoleculeChains LengthOrganismImage
16S ribosomal RNAA [auth 13],
DB [auth 1G]
1,522Thermus thermophilus HB8
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Entity ID: 22
MoleculeChains LengthOrganismImage
tRNA-fMetV [auth 1K]77Escherichia coli K-12
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Entity ID: 23
MoleculeChains LengthOrganismImage
tRNA-fMetW [auth 2K]77Escherichia coli K-12
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Entity ID: 24
MoleculeChains LengthOrganismImage
tRNA-PheX [auth 3K],
ZB [auth 3L]
76Escherichia coli K-12
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Entity ID: 25
MoleculeChains LengthOrganismImage
mRNAAC [auth 4L],
Y [auth 4K]
27Thermus thermophilus HB8
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Entity ID: 26
MoleculeChains LengthOrganismImage
23S ribosomal RNABC [auth 14],
Z [auth 1H]
2,917Thermus thermophilus HB8
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Entity ID: 27
MoleculeChains LengthOrganismImage
5S ribosomal RNAAA [auth 16],
CC [auth 1J]
122Thermus thermophilus HB8
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Entity ID: 56
MoleculeChains LengthOrganismImage
tRNA-fMetYB [auth 2L]77Escherichia coli K-12
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Small Molecules
Ligands 2 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
ZN
Query on ZN

Download Ideal Coordinates CCD File 
AH [auth 3E]
DH [auth 5I]
EZ [auth G8]
FCA [auth 32]
GCA [auth 5A]
AH [auth 3E],
DH [auth 5I],
EZ [auth G8],
FCA [auth 32],
GCA [auth 5A],
JPA [auth C5]
ZINC ION
Zn
PTFCDOFLOPIGGS-UHFFFAOYSA-N
MG
Query on MG

Download Ideal Coordinates CCD File 
AAA [auth 1G]
ABA [auth 1G]
ACA [auth 1G]
ADA [auth 14]
AE [auth 13]
AAA [auth 1G],
ABA [auth 1G],
ACA [auth 1G],
ADA [auth 14],
AE [auth 13],
AEA [auth 14],
AF [auth 13],
AFA [auth 14],
AG [auth 13],
AGA [auth 14],
AHA [auth 14],
AI [auth 1H],
AIA [auth 14],
AJ [auth 1H],
AJA [auth 14],
AK [auth 1H],
AKA [auth 14],
AL [auth 1H],
ALA [auth 14],
AM [auth 1H],
AMA [auth 14],
AN [auth 1H],
ANA [auth 14],
AO [auth 1H],
AOA [auth 14],
AP [auth 1H],
APA [auth 1J],
AQ [auth 1H],
AR [auth 1H],
AS [auth 1H],
AT [auth 1H],
AU [auth 1H],
AV [auth 1H],
AW [auth 1H],
AX [auth 1H],
AY [auth 1H],
AZ [auth 78],
BAA [auth 1G],
BBA [auth 1G],
BCA [auth 1G],
BDA [auth 14],
BE [auth 13],
BEA [auth 14],
BF [auth 13],
BFA [auth 14],
BG [auth 13],
BGA [auth 14],
BH [auth 4E],
BHA [auth 14],
BI [auth 1H],
BIA [auth 14],
BJ [auth 1H],
BJA [auth 14],
BK [auth 1H],
BKA [auth 14],
BL [auth 1H],
BLA [auth 14],
BM [auth 1H],
BMA [auth 14],
BN [auth 1H],
BNA [auth 14],
BO [auth 1H],
BOA [auth 14],
BP [auth 1H],
BPA [auth 1J],
BQ [auth 1H],
BR [auth 1H],
BS [auth 1H],
BT [auth 1H],
BU [auth 1H],
BV [auth 1H],
BW [auth 1H],
BX [auth 1H],
BY [auth 1H],
BZ [auth 78],
CAA [auth 1G],
CBA [auth 1G],
CCA [auth 1G],
CDA [auth 14],
CE [auth 13],
CEA [auth 14],
CF [auth 13],
CFA [auth 14],
CG [auth 13],
CGA [auth 14],
CH [auth 4I],
CHA [auth 14],
CI [auth 1H],
CIA [auth 14],
CJ [auth 1H],
CJA [auth 14],
CK [auth 1H],
CKA [auth 14],
CL [auth 1H],
CLA [auth 14],
CM [auth 1H],
CMA [auth 14],
CN [auth 1H],
CNA [auth 14],
CO [auth 1H],
COA [auth 14],
CP [auth 1H],
CPA [auth 1J],
CQ [auth 1H],
CR [auth 1H],
CS [auth 1H],
CT [auth 1H],
CU [auth 1H],
CV [auth 1H],
CW [auth 1H],
CX [auth 1H],
CY [auth 1H],
CZ [auth 88],
DAA [auth 1G],
DBA [auth 1G],
DCA [auth 1G],
DDA [auth 14],
DE [auth 13],
DEA [auth 14],
DF [auth 13],
DFA [auth 14],
DG [auth 13],
DGA [auth 14],
DHA [auth 14],
DI [auth 1H],
DIA [auth 14],
DJ [auth 1H],
DJA [auth 14],
DK [auth 1H],
DKA [auth 14],
DL [auth 1H],
DLA [auth 14],
DM [auth 1H],
DMA [auth 14],
DN [auth 1H],
DNA [auth 14],
DO [auth 1H],
DOA [auth 14],
DP [auth 1H],
DPA [auth 29],
DQ [auth 1H],
DR [auth 1H],
DS [auth 1H],
DT [auth 1H],
DU [auth 1H],
DV [auth 1H],
DW [auth 1H],
DX [auth 1H],
DY [auth 1H],
DZ [auth 98],
EAA [auth 1G],
EBA [auth 1G],
ECA [auth 1G],
ED [auth 13],
EDA [auth 14],
EE [auth 13],
EEA [auth 14],
EF [auth 13],
EFA [auth 14],
EG [auth 13],
EGA [auth 14],
EH [auth 2K],
EHA [auth 14],
EI [auth 1H],
EIA [auth 14],
EJ [auth 1H],
EJA [auth 14],
EK [auth 1H],
EKA [auth 14],
EL [auth 1H],
ELA [auth 14],
EM [auth 1H],
EMA [auth 14],
EN [auth 1H],
ENA [auth 14],
EO [auth 1H],
EOA [auth 14],
EP [auth 1H],
EPA [auth 29],
EQ [auth 1H],
ER [auth 1H],
ES [auth 1H],
ET [auth 1H],
EU [auth 1H],
EV [auth 1H],
EW [auth 1H],
EX [auth 1H],
EY [auth 1H],
FAA [auth 1G],
FBA [auth 1G],
FD [auth 13],
FDA [auth 14],
FE [auth 13],
FEA [auth 14],
FF [auth 13],
FFA [auth 14],
FG [auth 13],
FGA [auth 14],
FH [auth 2K],
FHA [auth 14],
FI [auth 1H],
FIA [auth 14],
FJ [auth 1H],
FJA [auth 14],
FK [auth 1H],
FKA [auth 14],
FL [auth 1H],
FLA [auth 14],
FM [auth 1H],
FMA [auth 14],
FN [auth 1H],
FNA [auth 14],
FO [auth 1H],
FOA [auth 14],
FP [auth 1H],
FPA [auth 25],
FQ [auth 1H],
FR [auth 1H],
FS [auth 1H],
FT [auth 1H],
FU [auth 1H],
FV [auth 1H],
FW [auth 1H],
FX [auth 1H],
FY [auth 1H],
FZ [auth I8],
GAA [auth 1G],
GBA [auth 1G],
GD [auth 13],
GDA [auth 14],
GE [auth 13],
GEA [auth 14],
GF [auth 13],
GFA [auth 14],
GG [auth 13],
GGA [auth 14],
GH [auth 1H],
GHA [auth 14],
GI [auth 1H],
GIA [auth 14],
GJ [auth 1H],
GJA [auth 14],
GK [auth 1H],
GKA [auth 14],
GL [auth 1H],
GLA [auth 14],
GM [auth 1H],
GMA [auth 14],
GN [auth 1H],
GNA [auth 14],
GO [auth 1H],
GOA [auth 14],
GP [auth 1H],
GPA [auth 35],
GQ [auth 1H],
GR [auth 1H],
GS [auth 1H],
GT [auth 1H],
GU [auth 1H],
GV [auth 1H],
GW [auth 1H],
GX [auth 1H],
GY [auth 1H],
GZ [auth I8],
HAA [auth 1G],
HBA [auth 1G],
HCA [auth 2L],
HD [auth 13],
HDA [auth 14],
HE [auth 13],
HEA [auth 14],
HF [auth 13],
HFA [auth 14],
HG [auth 13],
HGA [auth 14],
HH [auth 1H],
HHA [auth 14],
HI [auth 1H],
HIA [auth 14],
HJ [auth 1H],
HJA [auth 14],
HK [auth 1H],
HKA [auth 14],
HL [auth 1H],
HLA [auth 14],
HM [auth 1H],
HMA [auth 14],
HN [auth 1H],
HNA [auth 14],
HO [auth 1H],
HOA [auth 14],
HP [auth 1H],
HPA [auth 45],
HQ [auth 1H],
HR [auth 1H],
HS [auth 1H],
HT [auth 1H],
HU [auth 1H],
HV [auth 1H],
HW [auth 1H],
HX [auth 1H],
HY [auth 1H],
HZ [auth J8],
IAA [auth 1G],
IBA [auth 1G],
ICA [auth 2L],
ID [auth 13],
IDA [auth 14],
IE [auth 13],
IEA [auth 14],
IF [auth 13],
IFA [auth 14],
IG [auth 13],
IGA [auth 14],
IH [auth 1H],
IHA [auth 14],
II [auth 1H],
IIA [auth 14],
IJ [auth 1H],
IJA [auth 14],
IK [auth 1H],
IKA [auth 14],
IL [auth 1H],
ILA [auth 14],
IM [auth 1H],
IMA [auth 14],
IN [auth 1H],
INA [auth 14],
IO [auth 1H],
IOA [auth 14],
IP [auth 1H],
IPA [auth 55],
IQ [auth 1H],
IR [auth 1H],
IS [auth 1H],
IT [auth 1H],
IU [auth 1H],
IV [auth 1H],
IW [auth 1H],
IX [auth 1H],
IY [auth 16],
IZ [auth J8],
JAA [auth 1G],
JBA [auth 1G],
JCA [auth 3L],
JD [auth 13],
JDA [auth 14],
JE [auth 13],
JEA [auth 14],
JF [auth 13],
JFA [auth 14],
JG [auth 13],
JGA [auth 14],
JH [auth 1H],
JHA [auth 14],
JI [auth 1H],
JIA [auth 14],
JJ [auth 1H],
JJA [auth 14],
JK [auth 1H],
JKA [auth 14],
JL [auth 1H],
JLA [auth 14],
JM [auth 1H],
JMA [auth 14],
JN [auth 1H],
JNA [auth 14],
JO [auth 1H],
JOA [auth 14],
JP [auth 1H],
JQ [auth 1H],
JR [auth 1H],
JS [auth 1H],
JT [auth 1H],
JU [auth 1H],
JV [auth 1H],
JW [auth 1H],
JX [auth 1H],
JY [auth 16],
JZ [auth L8],
KAA [auth 1G],
KBA [auth 1G],
KCA [auth 3L],
KD [auth 13],
KDA [auth 14],
KE [auth 13],
KEA [auth 14],
KF [auth 13],
KFA [auth 14],
KG [auth 13],
KGA [auth 14],
KH [auth 1H],
KHA [auth 14],
KI [auth 1H],
KIA [auth 14],
KJ [auth 1H],
KJA [auth 14],
KK [auth 1H],
KKA [auth 14],
KL [auth 1H],
KLA [auth 14],
KM [auth 1H],
KMA [auth 14],
KN [auth 1H],
KNA [auth 14],
KO [auth 1H],
KOA [auth 14],
KP [auth 1H],
KPA [auth M5],
KQ [auth 1H],
KR [auth 1H],
KS [auth 1H],
KT [auth 1H],
KU [auth 1H],
KV [auth 1H],
KW [auth 1H],
KX [auth 1H],
KY [auth 16],
KZ [auth P8],
LAA [auth 1G],
LBA [auth 1G],
LCA [auth 14],
LD [auth 13],
LDA [auth 14],
LE [auth 13],
LEA [auth 14],
LF [auth 13],
LFA [auth 14],
LG [auth 13],
LGA [auth 14],
LH [auth 1H],
LHA [auth 14],
LI [auth 1H],
LIA [auth 14],
LJ [auth 1H],
LJA [auth 14],
LK [auth 1H],
LKA [auth 14],
LL [auth 1H],
LLA [auth 14],
LM [auth 1H],
LMA [auth 14],
LN [auth 1H],
LNA [auth 14],
LO [auth 1H],
LOA [auth 14],
LP [auth 1H],
LQ [auth 1H],
LR [auth 1H],
LS [auth 1H],
LT [auth 1H],
LU [auth 1H],
LV [auth 1H],
LW [auth 1H],
LX [auth 1H],
LY [auth 16],
LZ [auth 1G],
MAA [auth 1G],
MBA [auth 1G],
MCA [auth 14],
MD [auth 13],
MDA [auth 14],
ME [auth 13],
MEA [auth 14],
MF [auth 13],
MFA [auth 14],
MG [auth 13],
MGA [auth 14],
MH [auth 1H],
MHA [auth 14],
MI [auth 1H],
MIA [auth 14],
MJ [auth 1H],
MJA [auth 14],
MK [auth 1H],
MKA [auth 14],
ML [auth 1H],
MLA [auth 14],
MM [auth 1H],
MMA [auth 14],
MN [auth 1H],
MNA [auth 14],
MO [auth 1H],
MOA [auth 14],
MP [auth 1H],
MQ [auth 1H],
MR [auth 1H],
MS [auth 1H],
MT [auth 1H],
MU [auth 1H],
MV [auth 1H],
MW [auth 1H],
MX [auth 1H],
MY [auth 16],
MZ [auth 1G],
NAA [auth 1G],
NBA [auth 1G],
NCA [auth 14],
ND [auth 13],
NDA [auth 14],
NE [auth 13],
NEA [auth 14],
NF [auth 13],
NFA [auth 14],
NG [auth 13],
NGA [auth 14],
NH [auth 1H],
NHA [auth 14],
NI [auth 1H],
NIA [auth 14],
NJ [auth 1H],
NJA [auth 14],
NK [auth 1H],
NKA [auth 14],
NL [auth 1H],
NLA [auth 14],
NM [auth 1H],
NMA [auth 14],
NN [auth 1H],
NNA [auth 14],
NO [auth 1H],
NOA [auth 14],
NP [auth 1H],
NQ [auth 1H],
NR [auth 1H],
NS [auth 1H],
NT [auth 1H],
NU [auth 1H],
NV [auth 1H],
NW [auth 1H],
NX [auth 1H],
NY [auth 16],
NZ [auth 1G],
OAA [auth 1G],
OBA [auth 1G],
OCA [auth 14],
OD [auth 13],
ODA [auth 14],
OE [auth 13],
OEA [auth 14],
OF [auth 13],
OFA [auth 14],
OG [auth 13],
OGA [auth 14],
OH [auth 1H],
OHA [auth 14],
OI [auth 1H],
OIA [auth 14],
OJ [auth 1H],
OJA [auth 14],
OK [auth 1H],
OKA [auth 14],
OL [auth 1H],
OLA [auth 14],
OM [auth 1H],
OMA [auth 14],
ON [auth 1H],
ONA [auth 14],
OO [auth 1H],
OOA [auth 14],
OP [auth 1H],
OQ [auth 1H],
OR [auth 1H],
OS [auth 1H],
OT [auth 1H],
OU [auth 1H],
OV [auth 1H],
OW [auth 1H],
OX [auth 1H],
OY [auth 16],
OZ [auth 1G],
PAA [auth 1G],
PBA [auth 1G],
PCA [auth 14],
PD [auth 13],
PDA [auth 14],
PE [auth 13],
PEA [auth 14],
PF [auth 13],
PFA [auth 14],
PG [auth 13],
PGA [auth 14],
PH [auth 1H],
PHA [auth 14],
PI [auth 1H],
PIA [auth 14],
PJ [auth 1H],
PJA [auth 14],
PK [auth 1H],
PKA [auth 14],
PL [auth 1H],
PLA [auth 14],
PM [auth 1H],
PMA [auth 14],
PN [auth 1H],
PNA [auth 14],
PO [auth 1H],
POA [auth 14],
PP [auth 1H],
PQ [auth 1H],
PR [auth 1H],
PS [auth 1H],
PT [auth 1H],
PU [auth 1H],
PV [auth 1H],
PW [auth 1H],
PX [auth 1H],
PY [auth 16],
PZ [auth 1G],
QAA [auth 1G],
QBA [auth 1G],
QCA [auth 14],
QD [auth 13],
QDA [auth 14],
QE [auth 13],
QEA [auth 14],
QF [auth 13],
QFA [auth 14],
QG [auth 13],
QGA [auth 14],
QH [auth 1H],
QHA [auth 14],
QI [auth 1H],
QIA [auth 14],
QJ [auth 1H],
QJA [auth 14],
QK [auth 1H],
QKA [auth 14],
QL [auth 1H],
QLA [auth 14],
QM [auth 1H],
QMA [auth 14],
QN [auth 1H],
QNA [auth 14],
QO [auth 1H],
QOA [auth 14],
QP [auth 1H],
QQ [auth 1H],
QR [auth 1H],
QS [auth 1H],
QT [auth 1H],
QU [auth 1H],
QV [auth 1H],
QW [auth 1H],
QX [auth 1H],
QY [auth 16],
QZ [auth 1G],
RAA [auth 1G],
RBA [auth 1G],
RCA [auth 14],
RD [auth 13],
RDA [auth 14],
RE [auth 13],
REA [auth 14],
RF [auth 13],
RFA [auth 14],
RG [auth 13],
RGA [auth 14],
RH [auth 1H],
RHA [auth 14],
RI [auth 1H],
RIA [auth 14],
RJ [auth 1H],
RJA [auth 14],
RK [auth 1H],
RKA [auth 14],
RL [auth 1H],
RLA [auth 14],
RM [auth 1H],
RMA [auth 14],
RN [auth 1H],
RNA [auth 14],
RO [auth 1H],
ROA [auth 14],
RP [auth 1H],
RQ [auth 1H],
RR [auth 1H],
RS [auth 1H],
RT [auth 1H],
RU [auth 1H],
RV [auth 1H],
RW [auth 1H],
RX [auth 1H],
RY [auth 16],
RZ [auth 1G],
SAA [auth 1G],
SBA [auth 1G],
SCA [auth 14],
SD [auth 13],
SDA [auth 14],
SE [auth 13],
SEA [auth 14],
SF [auth 13],
SFA [auth 14],
SG [auth 13],
SGA [auth 14],
SH [auth 1H],
SHA [auth 14],
SI [auth 1H],
SIA [auth 14],
SJ [auth 1H],
SJA [auth 14],
SK [auth 1H],
SKA [auth 14],
SL [auth 1H],
SLA [auth 14],
SM [auth 1H],
SMA [auth 14],
SN [auth 1H],
SNA [auth 14],
SO [auth 1H],
SOA [auth 14],
SP [auth 1H],
SQ [auth 1H],
SR [auth 1H],
SS [auth 1H],
ST [auth 1H],
SU [auth 1H],
SV [auth 1H],
SW [auth 1H],
SX [auth 1H],
SY [auth 16],
SZ [auth 1G],
TAA [auth 1G],
TBA [auth 1G],
TCA [auth 14],
TD [auth 13],
TDA [auth 14],
TE [auth 13],
TEA [auth 14],
TF [auth 13],
TFA [auth 14],
TG [auth 13],
TGA [auth 14],
TH [auth 1H],
THA [auth 14],
TI [auth 1H],
TIA [auth 14],
TJ [auth 1H],
TJA [auth 14],
TK [auth 1H],
TKA [auth 14],
TL [auth 1H],
TLA [auth 14],
TM [auth 1H],
TMA [auth 14],
TN [auth 1H],
TNA [auth 14],
TO [auth 1H],
TOA [auth 14],
TP [auth 1H],
TQ [auth 1H],
TR [auth 1H],
TS [auth 1H],
TT [auth 1H],
TU [auth 1H],
TV [auth 1H],
TW [auth 1H],
TX [auth 1H],
TY [auth 11],
TZ [auth 1G],
UAA [auth 1G],
UBA [auth 1G],
UCA [auth 14],
UD [auth 13],
UDA [auth 14],
UE [auth 13],
UEA [auth 14],
UF [auth 13],
UFA [auth 14],
UG [auth 13],
UGA [auth 14],
UH [auth 1H],
UHA [auth 14],
UI [auth 1H],
UIA [auth 14],
UJ [auth 1H],
UJA [auth 14],
UK [auth 1H],
UKA [auth 14],
UL [auth 1H],
ULA [auth 14],
UM [auth 1H],
UMA [auth 14],
UN [auth 1H],
UNA [auth 14],
UO [auth 1H],
UOA [auth 14],
UP [auth 1H],
UQ [auth 1H],
UR [auth 1H],
US [auth 1H],
UT [auth 1H],
UU [auth 1H],
UV [auth 1H],
UW [auth 1H],
UX [auth 1H],
UY [auth 11],
UZ [auth 1G],
VAA [auth 1G],
VBA [auth 1G],
VCA [auth 14],
VD [auth 13],
VDA [auth 14],
VE [auth 13],
VEA [auth 14],
VF [auth 13],
VFA [auth 14],
VG [auth 13],
VGA [auth 14],
VH [auth 1H],
VHA [auth 14],
VI [auth 1H],
VIA [auth 14],
VJ [auth 1H],
VJA [auth 14],
VK [auth 1H],
VKA [auth 14],
VL [auth 1H],
VLA [auth 14],
VM [auth 1H],
VMA [auth 14],
VN [auth 1H],
VNA [auth 14],
VO [auth 1H],
VOA [auth 14],
VP [auth 1H],
VQ [auth 1H],
VR [auth 1H],
VS [auth 1H],
VT [auth 1H],
VU [auth 1H],
VV [auth 1H],
VW [auth 1H],
VX [auth 1H],
VY [auth 11],
VZ [auth 1G],
WAA [auth 1G],
WBA [auth 1G],
WCA [auth 14],
WD [auth 13],
WDA [auth 14],
WE [auth 13],
WEA [auth 14],
WF [auth 13],
WFA [auth 14],
WG [auth 13],
WGA [auth 14],
WH [auth 1H],
WHA [auth 14],
WI [auth 1H],
WIA [auth 14],
WJ [auth 1H],
WJA [auth 14],
WK [auth 1H],
WKA [auth 14],
WL [auth 1H],
WLA [auth 14],
WM [auth 1H],
WMA [auth 14],
WN [auth 1H],
WNA [auth 14],
WO [auth 1H],
WOA [auth 14],
WP [auth 1H],
WQ [auth 1H],
WR [auth 1H],
WS [auth 1H],
WT [auth 1H],
WU [auth 1H],
WV [auth 1H],
WW [auth 1H],
WX [auth 1H],
WY [auth 41],
WZ [auth 1G],
XAA [auth 1G],
XBA [auth 1G],
XCA [auth 14],
XD [auth 13],
XDA [auth 14],
XE [auth 13],
XEA [auth 14],
XF [auth 13],
XFA [auth 14],
XG [auth 13],
XGA [auth 14],
XH [auth 1H],
XHA [auth 14],
XI [auth 1H],
XIA [auth 14],
XJ [auth 1H],
XJA [auth 14],
XK [auth 1H],
XKA [auth 14],
XL [auth 1H],
XLA [auth 14],
XM [auth 1H],
XMA [auth 14],
XN [auth 1H],
XNA [auth 14],
XO [auth 1H],
XOA [auth 14],
XP [auth 1H],
XQ [auth 1H],
XR [auth 1H],
XS [auth 1H],
XT [auth 1H],
XU [auth 1H],
XV [auth 1H],
XW [auth 1H],
XX [auth 1H],
XY [auth 41],
XZ [auth 1G],
YAA [auth 1G],
YBA [auth 1G],
YCA [auth 14],
YD [auth 13],
YDA [auth 14],
YE [auth 13],
YEA [auth 14],
YF [auth 13],
YFA [auth 14],
YG [auth 13],
YGA [auth 14],
YH [auth 1H],
YHA [auth 14],
YI [auth 1H],
YIA [auth 14],
YJ [auth 1H],
YJA [auth 14],
YK [auth 1H],
YKA [auth 14],
YL [auth 1H],
YLA [auth 14],
YM [auth 1H],
YMA [auth 14],
YN [auth 1H],
YNA [auth 14],
YO [auth 1H],
YOA [auth 14],
YP [auth 1H],
YQ [auth 1H],
YR [auth 1H],
YS [auth 1H],
YT [auth 1H],
YU [auth 1H],
YV [auth 1H],
YW [auth 1H],
YX [auth 1H],
YY [auth 68],
YZ [auth 1G],
ZAA [auth 1G],
ZBA [auth 1G],
ZCA [auth 14],
ZD [auth 13],
ZDA [auth 14],
ZE [auth 13],
ZEA [auth 14],
ZF [auth 13],
ZFA [auth 14],
ZG [auth 3E],
ZGA [auth 14],
ZH [auth 1H],
ZHA [auth 14],
ZI [auth 1H],
ZIA [auth 14],
ZJ [auth 1H],
ZJA [auth 14],
ZK [auth 1H],
ZKA [auth 14],
ZL [auth 1H],
ZLA [auth 14],
ZM [auth 1H],
ZMA [auth 14],
ZN [auth 1H],
ZNA [auth 14],
ZO [auth 1H],
ZOA [auth 14],
ZP [auth 1H],
ZQ [auth 1H],
ZR [auth 1H],
ZS [auth 1H],
ZT [auth 1H],
ZU [auth 1H],
ZV [auth 1H],
ZW [auth 1H],
ZX [auth 1H],
ZY [auth 68],
ZZ [auth 1G]
MAGNESIUM ION
Mg
JLVVSXFLKOJNIY-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.30 Å
  • R-Value Free: 0.258 
  • R-Value Work: 0.191 
  • Space Group: P 21 21 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 210.2α = 90
b = 448.8β = 90
c = 621γ = 90
Software Package:
Software NamePurpose
XSCALEdata scaling
PHASERphasing
PHENIXrefinement
PDB_EXTRACTdata extraction
XDSdata reduction

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2015-06-10
    Type: Initial release
  • Version 1.1: 2015-06-17
    Changes: Database references
  • Version 2.0: 2019-06-26
    Changes: Data collection, Non-polymer description, Structure summary
  • Version 2.1: 2024-01-10
    Changes: Data collection, Database references, Derived calculations, Refinement description