MolNFT v1 · #107120 · protein
Hexameric HIV-1 ca in complex with PF3450074
4U0E · Capsid protein P24: “Hexameric HIV-1 ca in complex with PF3450074”. X-ray diffraction, 2 ligands (1B0, CL), 1 pocket (best druggability 0.36). MolNFT v1 #107120 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4U0E
- Type
- protein
- Length
- 209 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein P24
- UniProt
- P12493
- Ligands
- 1B0, CL
- Pockets
- 1 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Capsid protein P24 | protein | 209 | 60% helix, 3% strand | P12493 |
Ligands and binding sites
- 1B0 · N-methyl-nalpha-[(2-methyl-1H-indol-3-yl)acetyl]-N-phenyl-L-phenylalaninamide · ligand · chains A
- CL · Chloride ion · ion · 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 | 83 | 0.36 | 0.76 | 16 | 1B0 |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4U0E · Hexameric HIV-1 CA in complex with PF3450074 · 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 4U0E · PDBe 4U0E · UniProt P12493
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