MolNFT v1 · #186596 · protein
Co-crystal structure of lenacapavir bound to N74D mutant of disulfide stabilized HIV-1 ca hexamer
7RJ4: “Co-crystal structure of lenacapavir bound to N74D mutant of disulfide stabilized HIV-1 ca hexamer”. X-ray diffraction, 3 ligands (QNG, CL, IOD). MolNFT v1 #186596 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7RJ4
- Type
- protein
- Length
- 658 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- B6DRA0
- Ligands
- QNG, CL, IOD
Structure
x-ray diffraction · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 219 | — | B6DRA0 |
| B | — | protein | 219 | — | B6DRA0 |
| C | — | protein | 220 | — | B6DRA0 |
Ligands and binding sites
- QNG · N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2, 2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bs,4ar)-5,5-difluoro-3-(trifluoromethyl)-3B,4,4A,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide · ligand · 3 copies · chains A, B, C
- CL · Chloride ion · ion · 18 copies · chains A, B, C
- IOD · Iodide ion · ion · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7RJ4 · Co-crystal structure of lenacapavir bound to N74D mutant of disulfide stabilized HIV-1 CA… · 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 7RJ4 · PDBe 7RJ4 · UniProt B6DRA0
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