8ASA

Crystal structure of AO75L

PDB DOI: https://doi.org/10.2210/pdb8ASA/pdb

Classification: TRANSFERASE
Organism(s): Paramecium bursaria Chlorella virus 1
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2022-08-18 Released: 2023-08-30
Deposition Author(s): Laugeri, M.E., Speciale, I., Gimeno, A., Lin, S., Poveda, A., Lowary, T., Van Etten, J.L., Barbero, J.J., De Castro, C., Tonetti, M., Rojas, A.L.
Funding Organization(s): Spanish Ministry of Science, Innovation, and Universities

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.20 Å
R-Value Free: 0.241
R-Value Work: 0.194
R-Value Observed: 0.196

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.2 of the entry. See complete history.

Literature

Crystal structure of AO75L

Laugeri, M.E., Speciale, I., Gimeno, A., Lin, S., Poveda, A., Lowary, T., Van Etten, J.L., Barbero, J.J., De Castro, C., Tonetti, M., Rojas, A.L.

To be published.

Macromolecule Content

Total Structure Weight: 277.81 kDa
Atom Count: 20,366
Modelled Residue Count: 2,245
Deposited Residue Count: 2,280
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Exostosin	A, B, C, D, E A, B, C, D, E, F, G, H	285	Paramecium bursaria Chlorella virus 1	Mutation(s): 0 Gene Names: A075L
UniProt
Find proteins for Q89410 (Paramecium bursaria Chlorella virus 1) Explore Q89410 Go to UniProtKB: Q89410
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q89410
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 5 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
BCN Query on BCN Download Ideal Coordinates CCD File SDF format, chain CC [auth E] SDF format, chain HD [auth H] SDF format, chain LA [auth B] SDF format, chain NC [auth F] SDF format, chain QB [auth D] SDF format, chain RB [auth D] SDF format, chain WA [auth C] SDF format, chain Y [auth A] SDF format, chain ZC [auth G] MOL2 format, chain CC [auth E] MOL2 format, chain HD [auth H] MOL2 format, chain LA [auth B] MOL2 format, chain NC [auth F] MOL2 format, chain QB [auth D] MOL2 format, chain RB [auth D] MOL2 format, chain WA [auth C] MOL2 format, chain Y [auth A] MOL2 format, chain ZC [auth G] mmCIF format, chain CC [auth E] mmCIF format, chain HD [auth H] mmCIF format, chain LA [auth B] mmCIF format, chain NC [auth F] mmCIF format, chain QB [auth D] mmCIF format, chain RB [auth D] mmCIF format, chain WA [auth C] mmCIF format, chain Y [auth A] mmCIF format, chain ZC [auth G]	CC [auth E] HD [auth H] LA [auth B] NC [auth F] QB [auth D] CC [auth E], HD [auth H], LA [auth B], NC [auth F], QB [auth D], RB [auth D], WA [auth C], Y [auth A], ZC [auth G]	BICINE C₆ H₁₃ N O₄ FSVCELGFZIQNCK-UHFFFAOYSA-N		Interactions Focus chain CC [auth E] Focus chain HD [auth H] Focus chain LA [auth B] Focus chain NC [auth F] Focus chain QB [auth D] Focus chain RB [auth D] Focus chain WA [auth C] Focus chain Y [auth A] Focus chain ZC [auth G] Interactions & Density Focus chain CC [auth E] Focus chain HD [auth H] Focus chain LA [auth B] Focus chain NC [auth F] Focus chain QB [auth D] Focus chain RB [auth D] Focus chain WA [auth C] Focus chain Y [auth A] Focus chain ZC [auth G]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain AA [auth B] SDF format, chain AD [auth H] SDF format, chain BA [auth B] SDF format, chain DC [auth F] SDF format, chain I [auth A] SDF format, chain J [auth A] SDF format, chain K [auth A] SDF format, chain L [auth A] SDF format, chain MA [auth C] SDF format, chain NA [auth C] SDF format, chain OA [auth C] SDF format, chain OC [auth G] SDF format, chain XA [auth D] SDF format, chain Z [auth B] MOL2 format, chain AA [auth B] MOL2 format, chain AD [auth H] MOL2 format, chain BA [auth B] MOL2 format, chain DC [auth F] MOL2 format, chain I [auth A] MOL2 format, chain J [auth A] MOL2 format, chain K [auth A] MOL2 format, chain L [auth A] MOL2 format, chain MA [auth C] MOL2 format, chain NA [auth C] MOL2 format, chain OA [auth C] MOL2 format, chain OC [auth G] MOL2 format, chain XA [auth D] MOL2 format, chain Z [auth B] mmCIF format, chain AA [auth B] mmCIF format, chain AD [auth H] mmCIF format, chain BA [auth B] mmCIF format, chain DC [auth F] mmCIF format, chain I [auth A] mmCIF format, chain J [auth A] mmCIF format, chain K [auth A] mmCIF format, chain L [auth A] mmCIF format, chain MA [auth C] mmCIF format, chain NA [auth C] mmCIF format, chain OA [auth C] mmCIF format, chain OC [auth G] mmCIF format, chain XA [auth D] mmCIF format, chain Z [auth B]	AA [auth B] AD [auth H] BA [auth B] DC [auth F] I [auth A] AA [auth B], AD [auth H], BA [auth B], DC [auth F], I [auth A], J [auth A], K [auth A], L [auth A], MA [auth C], NA [auth C], OA [auth C], OC [auth G], XA [auth D], Z [auth B]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain AA [auth B] Focus chain AD [auth H] Focus chain BA [auth B] Focus chain DC [auth F] Focus chain I [auth A] Focus chain J [auth A] Focus chain K [auth A] Focus chain L [auth A] Focus chain MA [auth C] Focus chain NA [auth C] Focus chain OA [auth C] Focus chain OC [auth G] Focus chain XA [auth D] Focus chain Z [auth B] Interactions & Density Focus chain AA [auth B] Focus chain AD [auth H] Focus chain BA [auth B] Focus chain DC [auth F] Focus chain I [auth A] Focus chain J [auth A] Focus chain K [auth A] Focus chain L [auth A] Focus chain MA [auth C] Focus chain NA [auth C] Focus chain OA [auth C] Focus chain OC [auth G] Focus chain XA [auth D] Focus chain Z [auth B]
EDO Query on EDO Download Ideal Coordinates CCD File SDF format, chain AB [auth D] SDF format, chain BB [auth D] SDF format, chain BD [auth H] SDF format, chain CA [auth B] SDF format, chain CB [auth D] SDF format, chain CD [auth H] SDF format, chain DA [auth B] SDF format, chain DB [auth D] SDF format, chain EA [auth B] SDF format, chain EC [auth F] SDF format, chain FC [auth F] SDF format, chain GC [auth F] SDF format, chain HC [auth F] SDF format, chain M [auth A] SDF format, chain N [auth A] SDF format, chain O [auth A] SDF format, chain P [auth A] SDF format, chain PA [auth C] SDF format, chain PC [auth G] SDF format, chain QA [auth C] SDF format, chain QC [auth G] SDF format, chain RA [auth C] SDF format, chain RC [auth G] SDF format, chain SA [auth C] SDF format, chain SB [auth E] SDF format, chain SC [auth G] SDF format, chain TB [auth E] SDF format, chain UB [auth E] SDF format, chain YA [auth D] SDF format, chain ZA [auth D] MOL2 format, chain AB [auth D] MOL2 format, chain BB [auth D] MOL2 format, chain BD [auth H] MOL2 format, chain CA [auth B] MOL2 format, chain CB [auth D] MOL2 format, chain CD [auth H] MOL2 format, chain DA [auth B] MOL2 format, chain DB [auth D] MOL2 format, chain EA [auth B] MOL2 format, chain EC [auth F] MOL2 format, chain FC [auth F] MOL2 format, chain GC [auth F] MOL2 format, chain HC [auth F] MOL2 format, chain M [auth A] MOL2 format, chain N [auth A] MOL2 format, chain O [auth A] MOL2 format, chain P [auth A] MOL2 format, chain PA [auth C] MOL2 format, chain PC [auth G] MOL2 format, chain QA [auth C] MOL2 format, chain QC [auth G] MOL2 format, chain RA [auth C] MOL2 format, chain RC [auth G] MOL2 format, chain SA [auth C] MOL2 format, chain SB [auth E] MOL2 format, chain SC [auth G] MOL2 format, chain TB [auth E] MOL2 format, chain UB [auth E] MOL2 format, chain YA [auth D] MOL2 format, chain ZA [auth D] mmCIF format, chain AB [auth D] mmCIF format, chain BB [auth D] mmCIF format, chain BD [auth H] mmCIF format, chain CA [auth B] mmCIF format, chain CB [auth D] mmCIF format, chain CD [auth H] mmCIF format, chain DA [auth B] mmCIF format, chain DB [auth D] mmCIF format, chain EA [auth B] mmCIF format, chain EC [auth F] mmCIF format, chain FC [auth F] mmCIF format, chain GC [auth F] mmCIF format, chain HC [auth F] mmCIF format, chain M [auth A] mmCIF format, chain N [auth A] mmCIF format, chain O [auth A] mmCIF format, chain P [auth A] mmCIF format, chain PA [auth C] mmCIF format, chain PC [auth G] mmCIF format, chain QA [auth C] mmCIF format, chain QC [auth G] mmCIF format, chain RA [auth C] mmCIF format, chain RC [auth G] mmCIF format, chain SA [auth C] mmCIF format, chain SB [auth E] mmCIF format, chain SC [auth G] mmCIF format, chain TB [auth E] mmCIF format, chain UB [auth E] mmCIF format, chain YA [auth D] mmCIF format, chain ZA [auth D]	AB [auth D] BB [auth D] BD [auth H] CA [auth B] CB [auth D] AB [auth D], BB [auth D], BD [auth H], CA [auth B], CB [auth D], CD [auth H], DA [auth B], DB [auth D], EA [auth B], EC [auth F], FC [auth F], GC [auth F], HC [auth F], M [auth A], N [auth A], O [auth A], P [auth A], PA [auth C], PC [auth G], QA [auth C], QC [auth G], RA [auth C], RC [auth G], SA [auth C], SB [auth E], SC [auth G], TB [auth E], UB [auth E], YA [auth D], ZA [auth D]	1,2-ETHANEDIOL C₂ H₆ O₂ LYCAIKOWRPUZTN-UHFFFAOYSA-N		Interactions Focus chain AB [auth D] Focus chain BB [auth D] Focus chain BD [auth H] Focus chain CA [auth B] Focus chain CB [auth D] Focus chain CD [auth H] Focus chain DA [auth B] Focus chain DB [auth D] Focus chain EA [auth B] Focus chain EC [auth F] Focus chain FC [auth F] Focus chain GC [auth F] Focus chain HC [auth F] Focus chain M [auth A] Focus chain N [auth A] Focus chain O [auth A] Focus chain P [auth A] Focus chain PA [auth C] Focus chain PC [auth G] Focus chain QA [auth C] Focus chain QC [auth G] Focus chain RA [auth C] Focus chain RC [auth G] Focus chain SA [auth C] Focus chain SB [auth E] Focus chain SC [auth G] Focus chain TB [auth E] Focus chain UB [auth E] Focus chain YA [auth D] Focus chain ZA [auth D] Interactions & Density Focus chain AB [auth D] Focus chain BB [auth D] Focus chain BD [auth H] Focus chain CA [auth B] Focus chain CB [auth D] Focus chain CD [auth H] Focus chain DA [auth B] Focus chain DB [auth D] Focus chain EA [auth B] Focus chain EC [auth F] Focus chain FC [auth F] Focus chain GC [auth F] Focus chain HC [auth F] Focus chain M [auth A] Focus chain N [auth A] Focus chain O [auth A] Focus chain P [auth A] Focus chain PA [auth C] Focus chain PC [auth G] Focus chain QA [auth C] Focus chain QC [auth G] Focus chain RA [auth C] Focus chain RC [auth G] Focus chain SA [auth C] Focus chain SB [auth E] Focus chain SC [auth G] Focus chain TB [auth E] Focus chain UB [auth E] Focus chain YA [auth D] Focus chain ZA [auth D]
CA Query on CA Download Ideal Coordinates CCD File SDF format, chain AC [auth E] SDF format, chain BC [auth E] SDF format, chain DD [auth H] SDF format, chain ED [auth H] SDF format, chain FD [auth H] SDF format, chain GD [auth H] SDF format, chain IA [auth B] SDF format, chain JA [auth B] SDF format, chain JB [auth D] SDF format, chain KA [auth B] SDF format, chain KB [auth D] SDF format, chain LB [auth D] SDF format, chain LC [auth F] SDF format, chain MB [auth D] SDF format, chain MC [auth F] SDF format, chain NB [auth D] SDF format, chain OB [auth D] SDF format, chain PB [auth D] SDF format, chain TA [auth C] SDF format, chain UA [auth C] SDF format, chain VA [auth C] SDF format, chain W [auth A] SDF format, chain X [auth A] SDF format, chain YB [auth E] SDF format, chain YC [auth G] SDF format, chain ZB [auth E] MOL2 format, chain AC [auth E] MOL2 format, chain BC [auth E] MOL2 format, chain DD [auth H] MOL2 format, chain ED [auth H] MOL2 format, chain FD [auth H] MOL2 format, chain GD [auth H] MOL2 format, chain IA [auth B] MOL2 format, chain JA [auth B] MOL2 format, chain JB [auth D] MOL2 format, chain KA [auth B] MOL2 format, chain KB [auth D] MOL2 format, chain LB [auth D] MOL2 format, chain LC [auth F] MOL2 format, chain MB [auth D] MOL2 format, chain MC [auth F] MOL2 format, chain NB [auth D] MOL2 format, chain OB [auth D] MOL2 format, chain PB [auth D] MOL2 format, chain TA [auth C] MOL2 format, chain UA [auth C] MOL2 format, chain VA [auth C] MOL2 format, chain W [auth A] MOL2 format, chain X [auth A] MOL2 format, chain YB [auth E] MOL2 format, chain YC [auth G] MOL2 format, chain ZB [auth E] mmCIF format, chain AC [auth E] mmCIF format, chain BC [auth E] mmCIF format, chain DD [auth H] mmCIF format, chain ED [auth H] mmCIF format, chain FD [auth H] mmCIF format, chain GD [auth H] mmCIF format, chain IA [auth B] mmCIF format, chain JA [auth B] mmCIF format, chain JB [auth D] mmCIF format, chain KA [auth B] mmCIF format, chain KB [auth D] mmCIF format, chain LB [auth D] mmCIF format, chain LC [auth F] mmCIF format, chain MB [auth D] mmCIF format, chain MC [auth F] mmCIF format, chain NB [auth D] mmCIF format, chain OB [auth D] mmCIF format, chain PB [auth D] mmCIF format, chain TA [auth C] mmCIF format, chain UA [auth C] mmCIF format, chain VA [auth C] mmCIF format, chain W [auth A] mmCIF format, chain X [auth A] mmCIF format, chain YB [auth E] mmCIF format, chain YC [auth G] mmCIF format, chain ZB [auth E]	AC [auth E] BC [auth E] DD [auth H] ED [auth H] FD [auth H] AC [auth E], BC [auth E], DD [auth H], ED [auth H], FD [auth H], GD [auth H], IA [auth B], JA [auth B], JB [auth D], KA [auth B], KB [auth D], LB [auth D], LC [auth F], MB [auth D], MC [auth F], NB [auth D], OB [auth D], PB [auth D], TA [auth C], UA [auth C], VA [auth C], W [auth A], X [auth A], YB [auth E], YC [auth G], ZB [auth E]	CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N		Interactions Focus chain AC [auth E] Focus chain BC [auth E] Focus chain DD [auth H] Focus chain ED [auth H] Focus chain FD [auth H] Focus chain GD [auth H] Focus chain IA [auth B] Focus chain JA [auth B] Focus chain JB [auth D] Focus chain KA [auth B] Focus chain KB [auth D] Focus chain LB [auth D] Focus chain LC [auth F] Focus chain MB [auth D] Focus chain MC [auth F] Focus chain NB [auth D] Focus chain OB [auth D] Focus chain PB [auth D] Focus chain TA [auth C] Focus chain UA [auth C] Focus chain VA [auth C] Focus chain W [auth A] Focus chain X [auth A] Focus chain YB [auth E] Focus chain YC [auth G] Focus chain ZB [auth E] Interactions & Density Focus chain AC [auth E] Focus chain BC [auth E] Focus chain DD [auth H] Focus chain ED [auth H] Focus chain FD [auth H] Focus chain GD [auth H] Focus chain IA [auth B] Focus chain JA [auth B] Focus chain JB [auth D] Focus chain KA [auth B] Focus chain KB [auth D] Focus chain LB [auth D] Focus chain LC [auth F] Focus chain MB [auth D] Focus chain MC [auth F] Focus chain NB [auth D] Focus chain OB [auth D] Focus chain PB [auth D] Focus chain TA [auth C] Focus chain UA [auth C] Focus chain VA [auth C] Focus chain W [auth A] Focus chain X [auth A] Focus chain YB [auth E] Focus chain YC [auth G] Focus chain ZB [auth E]
MG Query on MG Download Ideal Coordinates CCD File SDF format, chain EB [auth D] SDF format, chain FA [auth B] SDF format, chain FB [auth D] SDF format, chain GA [auth B] SDF format, chain GB [auth D] SDF format, chain HA [auth B] SDF format, chain HB [auth D] SDF format, chain IB [auth D] SDF format, chain IC [auth F] SDF format, chain JC [auth F] SDF format, chain KC [auth F] SDF format, chain Q [auth A] SDF format, chain R [auth A] SDF format, chain S [auth A] SDF format, chain T [auth A] SDF format, chain TC [auth G] SDF format, chain U [auth A] SDF format, chain UC [auth G] SDF format, chain V [auth A] SDF format, chain VB [auth E] SDF format, chain VC [auth G] SDF format, chain WB [auth E] SDF format, chain WC [auth G] SDF format, chain XB [auth E] SDF format, chain XC [auth G] MOL2 format, chain EB [auth D] MOL2 format, chain FA [auth B] MOL2 format, chain FB [auth D] MOL2 format, chain GA [auth B] MOL2 format, chain GB [auth D] MOL2 format, chain HA [auth B] MOL2 format, chain HB [auth D] MOL2 format, chain IB [auth D] MOL2 format, chain IC [auth F] MOL2 format, chain JC [auth F] MOL2 format, chain KC [auth F] MOL2 format, chain Q [auth A] MOL2 format, chain R [auth A] MOL2 format, chain S [auth A] MOL2 format, chain T [auth A] MOL2 format, chain TC [auth G] MOL2 format, chain U [auth A] MOL2 format, chain UC [auth G] MOL2 format, chain V [auth A] MOL2 format, chain VB [auth E] MOL2 format, chain VC [auth G] MOL2 format, chain WB [auth E] MOL2 format, chain WC [auth G] MOL2 format, chain XB [auth E] MOL2 format, chain XC [auth G] mmCIF format, chain EB [auth D] mmCIF format, chain FA [auth B] mmCIF format, chain FB [auth D] mmCIF format, chain GA [auth B] mmCIF format, chain GB [auth D] mmCIF format, chain HA [auth B] mmCIF format, chain HB [auth D] mmCIF format, chain IB [auth D] mmCIF format, chain IC [auth F] mmCIF format, chain JC [auth F] mmCIF format, chain KC [auth F] mmCIF format, chain Q [auth A] mmCIF format, chain R [auth A] mmCIF format, chain S [auth A] mmCIF format, chain T [auth A] mmCIF format, chain TC [auth G] mmCIF format, chain U [auth A] mmCIF format, chain UC [auth G] mmCIF format, chain V [auth A] mmCIF format, chain VB [auth E] mmCIF format, chain VC [auth G] mmCIF format, chain WB [auth E] mmCIF format, chain WC [auth G] mmCIF format, chain XB [auth E] mmCIF format, chain XC [auth G]	EB [auth D] FA [auth B] FB [auth D] GA [auth B] GB [auth D] EB [auth D], FA [auth B], FB [auth D], GA [auth B], GB [auth D], HA [auth B], HB [auth D], IB [auth D], IC [auth F], JC [auth F], KC [auth F], Q [auth A], R [auth A], S [auth A], T [auth A], TC [auth G], U [auth A], UC [auth G], V [auth A], VB [auth E], VC [auth G], WB [auth E], WC [auth G], XB [auth E], XC [auth G]	MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N		Interactions Focus chain EB [auth D] Focus chain FA [auth B] Focus chain FB [auth D] Focus chain GA [auth B] Focus chain GB [auth D] Focus chain HA [auth B] Focus chain HB [auth D] Focus chain IB [auth D] Focus chain IC [auth F] Focus chain JC [auth F] Focus chain KC [auth F] Focus chain Q [auth A] Focus chain R [auth A] Focus chain S [auth A] Focus chain T [auth A] Focus chain TC [auth G] Focus chain U [auth A] Focus chain UC [auth G] Focus chain V [auth A] Focus chain VB [auth E] Focus chain VC [auth G] Focus chain WB [auth E] Focus chain WC [auth G] Focus chain XB [auth E] Focus chain XC [auth G] Interactions & Density Focus chain EB [auth D] Focus chain FA [auth B] Focus chain FB [auth D] Focus chain GA [auth B] Focus chain GB [auth D] Focus chain HA [auth B] Focus chain HB [auth D] Focus chain IB [auth D] Focus chain IC [auth F] Focus chain JC [auth F] Focus chain KC [auth F] Focus chain Q [auth A] Focus chain R [auth A] Focus chain S [auth A] Focus chain T [auth A] Focus chain TC [auth G] Focus chain U [auth A] Focus chain UC [auth G] Focus chain V [auth A] Focus chain VB [auth E] Focus chain VC [auth G] Focus chain WB [auth E] Focus chain WC [auth G] Focus chain XB [auth E] Focus chain XC [auth G]