MolNFT v1 · #162414 · protein
HIV capsid hexamer with IP5 ligand
6R8C · Gag polyprotein: “HIV capsid hexamer with IP5 ligand”. X-ray diffraction, 1 ligand (5MY), 1 pocket (best druggability 0.37). MolNFT v1 #162414 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6R8C
- Type
- protein
- Length
- 205 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gag polyprotein
- UniProt
- B6DRA0
- Ligands
- 5MY
- Pockets
- 1 · best druggability 0.37
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gag polyprotein | protein | 205 | 60% helix, 3% strand | B6DRA0 |
Ligands and binding sites
- 5MY · Myo-inositol-(1,3,4,5,6)-pentakisphosphate · 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 | 57 | 0.37 | 0.79 | 16 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6R8C · HIV capsid hexamer with IP5 ligand · 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 B6DRA0
- Elsewhere: RCSB PDB 6R8C · PDBe 6R8C · UniProt B6DRA0
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