MolNFT v1 · #104253 · protein

Crystal structure of coxsackievirus A24V

4Q4V · Coxsackievirus capsid protein VP1: “Crystal structure of coxsackievirus A24V”. X-ray diffraction, 14 pockets (best druggability 0.77). MolNFT v1 #104253 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4Q4V
Type: protein
Length: 839 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Coxsackievirus capsid protein VP1; Coxsackievirus capsid protein VP2; Coxsackievirus…
UniProt: V9VEF3
Pockets: 14 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 12% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
1	Coxsackievirus capsid protein VP1	protein	281	11% helix, 32% strand	V9VEF3
2	Coxsackievirus capsid protein VP2	protein	264	13% helix, 37% strand	V9VEF3
3	Coxsackievirus capsid protein VP3	protein	237	10% helix, 30% strand	V9VEF3
4	Coxsackievirus capsid protein VP4	protein	57	12% helix, 16% strand	V9VEF3

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	172	0.77	0.92	33	empty
2	214	0.58	0.79	33	empty
3	69	0.50	0.85	22	empty
4	102	0.45	0.79	17	empty
5	100	0.44	0.79	20	empty

Interfaces

6 interfaces between chains.

1–3 · 4136 Å² buried · 78 hydrogen bonds · protein-protein
1–2 · 2440 Å² buried · 44 hydrogen bonds · protein-protein
2–3 · 1716 Å² buried · 18 hydrogen bonds · protein-protein
1–4 · 1045 Å² buried · 14 hydrogen bonds · protein-protein
3–4 · 902 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

4Q4V · Crystal structure of Coxsackievirus A24v · the same entry in another collection · chain 1 against 1, 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 V9VEF3
Elsewhere: RCSB PDB 4Q4V · PDBe 4Q4V · UniProt V9VEF3

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