MolNFT v1 · #110278 · protein
Disulfide stabilized HIV-1 ca hexamer 4MUT (S41A, Q67H, V165I, L172I) in complex with pf-3450074
4XRQ · Capsid protein P24: “Disulfide stabilized HIV-1 ca hexamer 4MUT (S41A, Q67H, V165I, L172I) in complex with pf-3450074”. X-ray diffraction, 1 ligand (1B0), 1 pocket (best druggability 0.34). MolNFT v1 #110278 on GenesisL1: 3D…
- PDB
- 4XRQ
- Type
- protein
- Length
- 215 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein P24
- UniProt
- P12493
- Ligands
- 1B0
- Pockets
- 1 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Capsid protein P24 | protein | 215 | 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
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 | 71 | 0.34 | 0.76 | 16 | 1B0 |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4XRQ · Disulfide stabilized HIV-1 CA hexamer 4mut (S41A, Q67H, V165I, L172I) in complex with… · 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 4XRQ · PDBe 4XRQ · UniProt P12493
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