MolNFT v2 · #186047 · protein
Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
7LQP: “Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using…”. X-ray diffraction at 2.07, 3 ligands (YAV, SO4, IOD). MolNFT v2 #186047 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7LQP
- Type
- protein
- Length
- 289 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.07
- Source
- Human immunodeficiency virus 1
- UniProt
- Q76353
- Ligands
- YAV, SO4, IOD
Structure
x-ray diffraction · resolution 2.07 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 145 | — | Q76353 |
| B | — | protein | 144 | — | Q76353 |
Ligands and binding sites
- YAV · 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcar bamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid · ligand · chains A, B
- SO4 · Sulfate ion · ion · 12 copies · chains A, B
- IOD · Iodide ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7LQP · Rapid development of potent inhibitors of the HIV integrase-ledgf interaction by… · 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 Q76353
- Elsewhere: RCSB PDB 7LQP · PDBe 7LQP · UniProt Q76353
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