8U0R

The crystal structure of protein A21, a component of the conserved poxvirus entry-fusion complex

PDB DOI: https://doi.org/10.2210/pdb8U0R/pdb

Classification: VIRAL PROTEIN
Organism(s): Vaccinia virus Western Reserve
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2023-08-29 Released: 2024-09-04
Deposition Author(s): Diesterbeck, U., Gittis, A.G., Garboczi, D.N., Moss, B.
Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.30 Å
R-Value Free: 0.239
R-Value Work: 0.211
R-Value Observed: 0.214

wwPDB Validation 3D Report Full Report

This is version 1.0 of the entry. See complete history.

Literature

The crystal structure of protein A21, a component of the conserved poxvirus entry-fusion complex

Diesterbeck, U., Tak, A., Gittis, A.G., Garboczi, D.N., Moss, B.

To be published.

Macromolecule Content

Total Structure Weight: 70.89 kDa
Atom Count: 3,686
Modelled Residue Count: 448
Deposited Residue Count: 564
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Virion membrane protein A21	A, B, C, D, E A, B, C, D, E, F	94	Vaccinia virus Western Reserve	Mutation(s): 0 Gene Names: MVA131L
UniProt
Find proteins for P68711 (Vaccinia virus (strain Ankara)) Explore P68711 Go to UniProtKB: P68711
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P68711
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 15 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
PGE Query on PGE Download Ideal Coordinates CCD File SDF format, chain RA [auth C] SDF format, chain SB [auth F] MOL2 format, chain RA [auth C] MOL2 format, chain SB [auth F] mmCIF format, chain RA [auth C] mmCIF format, chain SB [auth F]	RA [auth C], SB [auth F]	TRIETHYLENE GLYCOL C₆ H₁₄ O₄ ZIBGPFATKBEMQZ-UHFFFAOYSA-N		Interactions Focus chain RA [auth C] Focus chain SB [auth F] Interactions & Density Focus chain RA [auth C] Focus chain SB [auth F]
IOD Query on IOD Download Ideal Coordinates CCD File SDF format, chain AA [auth B] SDF format, chain BA [auth B] SDF format, chain CA [auth B] SDF format, chain M [auth A] SDF format, chain N [auth A] SDF format, chain O [auth A] SDF format, chain OA [auth C] SDF format, chain X [auth B] SDF format, chain Y [auth B] SDF format, chain YA [auth D] SDF format, chain Z [auth B] SDF format, chain ZA [auth D] MOL2 format, chain AA [auth B] MOL2 format, chain BA [auth B] MOL2 format, chain CA [auth B] MOL2 format, chain M [auth A] MOL2 format, chain N [auth A] MOL2 format, chain O [auth A] MOL2 format, chain OA [auth C] MOL2 format, chain X [auth B] MOL2 format, chain Y [auth B] MOL2 format, chain YA [auth D] MOL2 format, chain Z [auth B] MOL2 format, chain ZA [auth D] mmCIF format, chain AA [auth B] mmCIF format, chain BA [auth B] mmCIF format, chain CA [auth B] mmCIF format, chain M [auth A] mmCIF format, chain N [auth A] mmCIF format, chain O [auth A] mmCIF format, chain OA [auth C] mmCIF format, chain X [auth B] mmCIF format, chain Y [auth B] mmCIF format, chain YA [auth D] mmCIF format, chain Z [auth B] mmCIF format, chain ZA [auth D]	AA [auth B] BA [auth B] CA [auth B] M [auth A] N [auth A] AA [auth B], BA [auth B], CA [auth B], M [auth A], N [auth A], O [auth A], OA [auth C], X [auth B], Y [auth B], YA [auth D], Z [auth B], ZA [auth D]	IODIDE ION I XMBWDFGMSWQBCA-UHFFFAOYSA-M		Interactions Focus chain AA [auth B] Focus chain BA [auth B] Focus chain CA [auth B] Focus chain M [auth A] Focus chain N [auth A] Focus chain O [auth A] Focus chain OA [auth C] Focus chain X [auth B] Focus chain Y [auth B] Focus chain YA [auth D] Focus chain Z [auth B] Focus chain ZA [auth D] Interactions & Density Focus chain AA [auth B] Focus chain BA [auth B] Focus chain CA [auth B] Focus chain M [auth A] Focus chain N [auth A] Focus chain O [auth A] Focus chain OA [auth C] Focus chain X [auth B] Focus chain Y [auth B] Focus chain YA [auth D] Focus chain Z [auth B] Focus chain ZA [auth D]
PG0 Query on PG0 Download Ideal Coordinates CCD File SDF format, chain GA [auth B] MOL2 format, chain GA [auth B] mmCIF format, chain GA [auth B]	GA [auth B]	2-(2-METHOXYETHOXY)ETHANOL C₅ H₁₂ O₃ SBASXUCJHJRPEV-UHFFFAOYSA-N		Interactions Focus chain GA [auth B] Interactions & Density Focus chain GA [auth B]
PEG Query on PEG Download Ideal Coordinates CCD File SDF format, chain BB [auth D] SDF format, chain SA [auth C] SDF format, chain TB [auth F] MOL2 format, chain BB [auth D] MOL2 format, chain SA [auth C] MOL2 format, chain TB [auth F] mmCIF format, chain BB [auth D] mmCIF format, chain SA [auth C] mmCIF format, chain TB [auth F]	BB [auth D], SA [auth C], TB [auth F]	DI(HYDROXYETHYL)ETHER C₄ H₁₀ O₃ MTHSVFCYNBDYFN-UHFFFAOYSA-N		Interactions Focus chain BB [auth D] Focus chain SA [auth C] Focus chain TB [auth F] Interactions & Density Focus chain BB [auth D] Focus chain SA [auth C] Focus chain TB [auth F]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain CB [auth E] SDF format, chain JB [auth F] SDF format, chain KB [auth F] MOL2 format, chain CB [auth E] MOL2 format, chain JB [auth F] MOL2 format, chain KB [auth F] mmCIF format, chain CB [auth E] mmCIF format, chain JB [auth F] mmCIF format, chain KB [auth F]	CB [auth E], JB [auth F], KB [auth F]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain CB [auth E] Focus chain JB [auth F] Focus chain KB [auth F] Interactions & Density Focus chain CB [auth E] Focus chain JB [auth F] Focus chain KB [auth F]
DHL Query on DHL Download Ideal Coordinates CCD File SDF format, chain HA [auth B] SDF format, chain UB [auth F] MOL2 format, chain HA [auth B] MOL2 format, chain UB [auth F] mmCIF format, chain HA [auth B] mmCIF format, chain UB [auth F]	HA [auth B], UB [auth F]	2-AMINO-ETHANETHIOL C₂ H₇ N S UFULAYFCSOUIOV-UHFFFAOYSA-N		Interactions Focus chain HA [auth B] Focus chain UB [auth F] Interactions & Density Focus chain HA [auth B] Focus chain UB [auth F]
PGR Query on PGR Download Ideal Coordinates CCD File SDF format, chain W [auth B] MOL2 format, chain W [auth B] mmCIF format, chain W [auth B]	W [auth B]	R-1,2-PROPANEDIOL C₃ H₈ O₂ DNIAPMSPPWPWGF-GSVOUGTGSA-N		Interactions Focus chain W [auth B] Interactions & Density Focus chain W [auth B]
PDO Query on PDO Download Ideal Coordinates CCD File SDF format, chain HB [auth E] SDF format, chain NA [auth C] SDF format, chain U [auth B] SDF format, chain V [auth B] SDF format, chain WA [auth D] MOL2 format, chain HB [auth E] MOL2 format, chain NA [auth C] MOL2 format, chain U [auth B] MOL2 format, chain V [auth B] MOL2 format, chain WA [auth D] mmCIF format, chain HB [auth E] mmCIF format, chain NA [auth C] mmCIF format, chain U [auth B] mmCIF format, chain V [auth B] mmCIF format, chain WA [auth D]	HB [auth E], NA [auth C], U [auth B], V [auth B], WA [auth D]	1,3-PROPANDIOL C₃ H₈ O₂ YPFDHNVEDLHUCE-UHFFFAOYSA-N		Interactions Focus chain HB [auth E] Focus chain NA [auth C] Focus chain U [auth B] Focus chain V [auth B] Focus chain WA [auth D] Interactions & Density Focus chain HB [auth E] Focus chain NA [auth C] Focus chain U [auth B] Focus chain V [auth B] Focus chain WA [auth D]
EDO Query on EDO Download Ideal Coordinates CCD File SDF format, chain EB [auth E] SDF format, chain FB [auth E] SDF format, chain H [auth A] SDF format, chain I [auth A] SDF format, chain IA [auth C] SDF format, chain JA [auth C] SDF format, chain KA [auth C] SDF format, chain MB [auth F] SDF format, chain T [auth B] SDF format, chain UA [auth D] SDF format, chain VA [auth D] MOL2 format, chain EB [auth E] MOL2 format, chain FB [auth E] MOL2 format, chain H [auth A] MOL2 format, chain I [auth A] MOL2 format, chain IA [auth C] MOL2 format, chain JA [auth C] MOL2 format, chain KA [auth C] MOL2 format, chain MB [auth F] MOL2 format, chain T [auth B] MOL2 format, chain UA [auth D] MOL2 format, chain VA [auth D] mmCIF format, chain EB [auth E] mmCIF format, chain FB [auth E] mmCIF format, chain H [auth A] mmCIF format, chain I [auth A] mmCIF format, chain IA [auth C] mmCIF format, chain JA [auth C] mmCIF format, chain KA [auth C] mmCIF format, chain MB [auth F] mmCIF format, chain T [auth B] mmCIF format, chain UA [auth D] mmCIF format, chain VA [auth D]	EB [auth E] FB [auth E] H [auth A] I [auth A] IA [auth C] EB [auth E], FB [auth E], H [auth A], I [auth A], IA [auth C], JA [auth C], KA [auth C], MB [auth F], T [auth B], UA [auth D], VA [auth D]	1,2-ETHANEDIOL C₂ H₆ O₂ LYCAIKOWRPUZTN-UHFFFAOYSA-N		Interactions Focus chain EB [auth E] Focus chain FB [auth E] Focus chain H [auth A] Focus chain I [auth A] Focus chain IA [auth C] Focus chain JA [auth C] Focus chain KA [auth C] Focus chain MB [auth F] Focus chain T [auth B] Focus chain UA [auth D] Focus chain VA [auth D] Interactions & Density Focus chain EB [auth E] Focus chain FB [auth E] Focus chain H [auth A] Focus chain I [auth A] Focus chain IA [auth C] Focus chain JA [auth C] Focus chain KA [auth C] Focus chain MB [auth F] Focus chain T [auth B] Focus chain UA [auth D] Focus chain VA [auth D]
IPA Query on IPA Download Ideal Coordinates CCD File SDF format, chain IB [auth E] MOL2 format, chain IB [auth E] mmCIF format, chain IB [auth E]	IB [auth E]	ISOPROPYL ALCOHOL C₃ H₈ O KFZMGEQAYNKOFK-UHFFFAOYSA-N		Interactions Focus chain IB [auth E] Interactions & Density Focus chain IB [auth E]
POL Query on POL Download Ideal Coordinates CCD File SDF format, chain XA [auth D] MOL2 format, chain XA [auth D] mmCIF format, chain XA [auth D]	XA [auth D]	N-PROPANOL C₃ H₈ O BDERNNFJNOPAEC-UHFFFAOYSA-N		Interactions Focus chain XA [auth D] Interactions & Density Focus chain XA [auth D]
EOH Query on EOH Download Ideal Coordinates CCD File SDF format, chain DB [auth E] SDF format, chain G [auth A] SDF format, chain LB [auth F] SDF format, chain S [auth B] SDF format, chain TA [auth D] MOL2 format, chain DB [auth E] MOL2 format, chain G [auth A] MOL2 format, chain LB [auth F] MOL2 format, chain S [auth B] MOL2 format, chain TA [auth D] mmCIF format, chain DB [auth E] mmCIF format, chain G [auth A] mmCIF format, chain LB [auth F] mmCIF format, chain S [auth B] mmCIF format, chain TA [auth D]	DB [auth E], G [auth A], LB [auth F], S [auth B], TA [auth D]	ETHANOL C₂ H₆ O LFQSCWFLJHTTHZ-UHFFFAOYSA-N		Interactions Focus chain DB [auth E] Focus chain G [auth A] Focus chain LB [auth F] Focus chain S [auth B] Focus chain TA [auth D] Interactions & Density Focus chain DB [auth E] Focus chain G [auth A] Focus chain LB [auth F] Focus chain S [auth B] Focus chain TA [auth D]
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain AB [auth D] SDF format, chain DA [auth B] SDF format, chain EA [auth B] SDF format, chain P [auth A] SDF format, chain PA [auth C] SDF format, chain Q [auth A] SDF format, chain QB [auth F] SDF format, chain R [auth A] SDF format, chain RB [auth F] MOL2 format, chain AB [auth D] MOL2 format, chain DA [auth B] MOL2 format, chain EA [auth B] MOL2 format, chain P [auth A] MOL2 format, chain PA [auth C] MOL2 format, chain Q [auth A] MOL2 format, chain QB [auth F] MOL2 format, chain R [auth A] MOL2 format, chain RB [auth F] mmCIF format, chain AB [auth D] mmCIF format, chain DA [auth B] mmCIF format, chain EA [auth B] mmCIF format, chain P [auth A] mmCIF format, chain PA [auth C] mmCIF format, chain Q [auth A] mmCIF format, chain QB [auth F] mmCIF format, chain R [auth A] mmCIF format, chain RB [auth F]	AB [auth D] DA [auth B] EA [auth B] P [auth A] PA [auth C] AB [auth D], DA [auth B], EA [auth B], P [auth A], PA [auth C], Q [auth A], QB [auth F], R [auth A], RB [auth F]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain AB [auth D] Focus chain DA [auth B] Focus chain EA [auth B] Focus chain P [auth A] Focus chain PA [auth C] Focus chain Q [auth A] Focus chain QB [auth F] Focus chain R [auth A] Focus chain RB [auth F] Interactions & Density Focus chain AB [auth D] Focus chain DA [auth B] Focus chain EA [auth B] Focus chain P [auth A] Focus chain PA [auth C] Focus chain Q [auth A] Focus chain QB [auth F] Focus chain R [auth A] Focus chain RB [auth F]
MOH Query on MOH Download Ideal Coordinates CCD File SDF format, chain GB [auth E] SDF format, chain J [auth A] SDF format, chain K [auth A] SDF format, chain L [auth A] SDF format, chain LA [auth C] SDF format, chain MA [auth C] SDF format, chain NB [auth F] SDF format, chain OB [auth F] SDF format, chain PB [auth F] MOL2 format, chain GB [auth E] MOL2 format, chain J [auth A] MOL2 format, chain K [auth A] MOL2 format, chain L [auth A] MOL2 format, chain LA [auth C] MOL2 format, chain MA [auth C] MOL2 format, chain NB [auth F] MOL2 format, chain OB [auth F] MOL2 format, chain PB [auth F] mmCIF format, chain GB [auth E] mmCIF format, chain J [auth A] mmCIF format, chain K [auth A] mmCIF format, chain L [auth A] mmCIF format, chain LA [auth C] mmCIF format, chain MA [auth C] mmCIF format, chain NB [auth F] mmCIF format, chain OB [auth F] mmCIF format, chain PB [auth F]	GB [auth E] J [auth A] K [auth A] L [auth A] LA [auth C] GB [auth E], J [auth A], K [auth A], L [auth A], LA [auth C], MA [auth C], NB [auth F], OB [auth F], PB [auth F]	METHANOL C H₄ O OKKJLVBELUTLKV-UHFFFAOYSA-N		Interactions Focus chain GB [auth E] Focus chain J [auth A] Focus chain K [auth A] Focus chain L [auth A] Focus chain LA [auth C] Focus chain MA [auth C] Focus chain NB [auth F] Focus chain OB [auth F] Focus chain PB [auth F] Interactions & Density Focus chain GB [auth E] Focus chain J [auth A] Focus chain K [auth A] Focus chain L [auth A] Focus chain LA [auth C] Focus chain MA [auth C] Focus chain NB [auth F] Focus chain OB [auth F] Focus chain PB [auth F]
NA Query on NA Download Ideal Coordinates CCD File SDF format, chain FA [auth B] SDF format, chain QA [auth C] MOL2 format, chain FA [auth B] MOL2 format, chain QA [auth C] mmCIF format, chain FA [auth B] mmCIF format, chain QA [auth C]	FA [auth B], QA [auth C]	SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N		Interactions Focus chain FA [auth B] Focus chain QA [auth C] Interactions & Density Focus chain FA [auth B] Focus chain QA [auth C]