MolNFT v1 · #143534 · protein
P38A/T216I mutant of the HIV-1 capsid protein
6B2H: “P38A/T216I mutant of the HIV-1 capsid protein”. X-ray diffraction, 2 ligands (IOD, CL), 2 pockets (best druggability 0.37). MolNFT v1 #143534 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6B2H
- Type
- protein
- Length
- 219 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HIV-1 capsid protein
- UniProt
- B6DRA0
- Ligands
- IOD, CL
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HIV-1 capsid protein | protein | 219 | 60% helix, 2% strand | B6DRA0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.37 | 0.76 | 17 | empty |
| 2 | 59 | 0.31 | 0.75 | 15 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6B2H · P38A/T216I mutant of the HIV-1 capsid protein · 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 6B2H · PDBe 6B2H · UniProt B6DRA0
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