MolNFT v1 · #157847 · protein
Structure of HIV-1 integrase with potent 5,6,7,8-tetrahydro-1,6- naphthyridine derivatives allosteric site inhibitors
6NCJ: “Structure of HIV-1 integrase with potent 5,6,7,8-tetrahydro-1,6- naphthyridine derivatives allosteric site…”. X-ray diffraction, 2 ligands (KJJ, SO4). MolNFT v1 #157847 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6NCJ
- Type
- protein
- Length
- 142 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrase
- UniProt
- F2WR52
- Ligands
- KJJ, SO4
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrase | protein | 142 | 54% helix, 21% strand | F2WR52 |
Ligands and binding sites
- KJJ · (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl) oxy]ethanoic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6NCJ · Structure of HIV-1 Integrase with potent 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives… · 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 F2WR52
- Elsewhere: RCSB PDB 6NCJ · PDBe 6NCJ · UniProt F2WR52
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