MolNFT v1 · #92716 · protein
Crystal structure of foot and mouth disease virus A22 serotype
4GH4 · Capsid protein VP1: “Crystal structure of foot and mouth disease virus A22 serotype”. X-ray diffraction, 8 pockets (best druggability 0.77). MolNFT v1 #92716 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4GH4
- Type
- protein
- Length
- 664 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein VP1; Capsid protein VP2; Capsid protein VP3; Capsid protein VP4
- UniProt
- Q9Q2N8
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 12% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Capsid protein VP1 | protein | 191 | 16% helix, 30% strand | Q9Q2N8 |
| B | Capsid protein VP2 | protein | 207 | 10% helix, 45% strand | Q9Q2N8 |
| C | Capsid protein VP3 | protein | 221 | 9% helix, 30% strand | Q9Q2N8 |
| D | Capsid protein VP4 | protein | 45 | 24% helix, 2% strand | — |
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 879 | 0.77 | 0.80 | 79 | empty |
| 2 | 159 | 0.48 | 0.78 | 26 | empty |
| 3 | 120 | 0.46 | 0.78 | 19 | empty |
| 4 | 160 | 0.45 | 0.75 | 22 | empty |
| 5 | 107 | 0.45 | 0.78 | 30 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1431 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 1332 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 889 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 809 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 231 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4GH4 · Crystal Structure of Foot and Mouth Disease Virus A22 Serotype · 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 Q9Q2N8
- Elsewhere: RCSB PDB 4GH4 · PDBe 4GH4 · UniProt Q9Q2N8
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