MolNFT v1 · #31733 · protein

Crystal structure of the rhesus rotavirus VP5 antigen domain trimer

2B4I · Outer capsid protein VP4: “Crystal structure of the rhesus rotavirus VP5 antigen domain trimer”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #31733 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2B4I
Type: protein
Length: 698 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Outer capsid protein VP4
UniProt: Q91HI9
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 1% helix, 62% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Outer capsid protein VP4	protein	232	1% helix, 62% strand	Q91HI9
B	Outer capsid protein VP4	protein	234	1% helix, 62% strand	Q91HI9

Pockets

4 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	1150	0.78	0.80	105	empty
2	81	0.33	0.74	18	empty
3	71	0.31	0.74	20	empty
4	67	0.27	0.72	17	empty

Interfaces

3 interfaces between chains.

B–C · 694 Å² buried · 7 hydrogen bonds · protein-protein
A–B · 691 Å² buried · 5 hydrogen bonds · protein-protein
A–C · 688 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

2B4I · Crystal Structure of the Rhesus Rotavirus VP5 Antigen Domain Trimer · 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 Q91HI9
Elsewhere: RCSB PDB 2B4I · PDBe 2B4I · UniProt Q91HI9

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