MolNFT v1 · #107121 · protein
Hexameric HIV-1 ca in complex with bi-2
4U0F · Capsid protein P24: “Hexameric HIV-1 ca in complex with bi-2”. X-ray diffraction, 1 ligand (3A8), 1 pocket (best druggability 0.38). MolNFT v1 #107121 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4U0F
- Type
- protein
- Length
- 201 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein P24
- UniProt
- P12493
- Ligands
- 3A8
- Pockets
- 1 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Capsid protein P24 | protein | 201 | 61% helix, 3% strand | P12493 |
Ligands and binding sites
- 3A8 · (4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one · ligand · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.38 | 0.77 | 17 | EDO, 3A8 |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4U0F · Hexameric HIV-1 CA in Complex with BI-2 · 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 P12493
- Elsewhere: RCSB PDB 4U0F · PDBe 4U0F · UniProt P12493
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