MolNFT v1 · #186697 · protein
Structure of N74D mutant of disulfide stabilized HIV-1 ca hexamer
7RMM · Capsid protein P24: “Structure of N74D mutant of disulfide stabilized HIV-1 ca hexamer”. X-ray diffraction, 2 ligands (CL, IOD), 3 pockets (best druggability 0.33). MolNFT v1 #186697 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7RMM
- Type
- protein
- Length
- 626 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein P24
- UniProt
- B6DRA0
- Ligands
- CL, IOD
- Pockets
- 3 · best druggability 0.33
Structure
x-ray diffraction · 3 distinct chains · 61% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Capsid protein P24 | protein | 215 | 60% helix, 3% strand | B6DRA0 |
| B | Capsid protein P24 | protein | 213 | 61% helix, 3% strand | B6DRA0 |
| C | Capsid protein P24 | protein | 198 | 60% helix, 2% strand | B6DRA0 |
Ligands and binding sites
- CL · Chloride ion · ion · 17 copies · chains A, B, C
- IOD · Iodide ion · ion · 6 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.33 | 0.77 | 16 | empty |
| 2 | 50 | 0.33 | 0.78 | 13 | empty |
| 3 | 51 | 0.31 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 11 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7RMM · Structure of N74D mutant of disulfide stabilized HIV-1 CA hexamer · 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 7RMM · PDBe 7RMM · UniProt B6DRA0
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