MolNFT v1 · #52132 · protein

Structure of avian reovirus SIGMAC117-326, C2 crystal form

2VRS · Sigma-C capsid protein: “Structure of avian reovirus SIGMAC117-326, C2 crystal form”. X-ray diffraction, 3 ligands (ZN, CL, SO4), 3 pockets (best druggability 0.86). MolNFT v1 #52132 on GenesisL1: 3D structure, binding sites and…

PDB: 2VRS
Type: protein
Length: 620 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sigma-C capsid protein
UniProt: Q992I2
Ligands: ZN, CL, SO4
Pockets: 3 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Sigma-C capsid protein	protein	205	20% helix, 51% strand	Q992I2
C	Sigma-C capsid protein	protein	210	22% helix, 48% strand	Q992I2

Ligands and binding sites

ZN · Zinc ion · metal · 7 copies · chains A, B, C
CL · Chloride ion · ion · 2 copies · chains A, B, C
SO4 · Sulfate ion · ion · chains B
GOL · Glycerol · additive · 3 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1178	0.86	0.87	74	empty
2	147	0.38	0.73	27	empty
3	64	0.29	0.74	17	empty

Interfaces

3 interfaces between chains.

A–C · 1968 Å² buried · 22 hydrogen bonds · protein-protein
B–C · 1950 Å² buried · 21 hydrogen bonds · protein-protein
A–B · 1895 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

2VRS · Structure of avian reovirus sigmaC117-326, C2 crystal form · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q992I2
Elsewhere: RCSB PDB 2VRS · PDBe 2VRS · UniProt Q992I2

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