Research workbench
Re-refinement of cap-1 HIV-ca complex
Analyse Re-refinement of cap-1 HIV-ca complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NX4
- Type
- protein
- Length
- 145 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gag-pol polyprotein
- UniProt
- P12497
- Ligands
- JPR, ZN, CL
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Gag-pol polyprotein | protein | 145 | 57% helix, 4% strand | P12497 |
Ligands and binding sites
- JPR · 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea · ligand · chains C
- ZN · Zinc ion · metal · 2 copies · chains C
- CL · Chloride ion · ion · chains C
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 | 96 | 0.62 | 0.87 | 15 | JPR |
Compared structures
- 4NX4 · Re-refinement of CAP-1 HIV-CA complex · the same entry in another collection · chain C against C, 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 P12497
- Elsewhere: RCSB PDB 4NX4 · PDBe 4NX4 · UniProt P12497
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