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Crystal structure of the N-terminal domain of HIV-1 capsid in complex with benzodiazepine inhibitor
Analyse Crystal structure of the N-terminal domain of HIV-1 capsid in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4INB
- Type
- protein
- Length
- 146 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gag protein
- UniProt
- Q79791
- Ligands
- 1F6, NA
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gag protein | protein | 146 | 56% helix, 4% strand | Q79791 |
Ligands and binding sites
- 1F6 · (3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione · ligand · chains A
- NA · Sodium ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.72 | 0.87 | 36 | 1F6 |
Compared structures
- 4INB · Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With benzodiazepine… · 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 Q79791
- Elsewhere: RCSB PDB 4INB · PDBe 4INB · UniProt Q79791
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