MolNFT v1 · #186799 · protein
HIV integrase core domain in complex with 2-{2-[2-(3-{[4-(2-{[(3-{2- [3-(carboxymethyl)-5-methyl-1-benzofuran-2-YL]ETHYNYL}PHENYL) METHYL]AMINO}ETHYL)PIPERAZIN-1-YL]METHYL}PHENYL)ETHYNYL]-5-methyl-1- benzofuran-3-YL}ACETIC acid
7RQ0: “HIV integrase core domain in complex with 2-{2-[2-(3-{[4-(2-{[(3-{2…”. X-ray diffraction, 3 ligands (6I2, SO4, IOD). MolNFT v1 #186799 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7RQ0
- Type
- protein
- Length
- 276 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q76353
- Ligands
- 6I2, SO4, IOD
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 137 | — | Q76353 |
| B | — | protein | 139 | — | Q76353 |
Ligands and binding sites
- 6I2 · {2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl) piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid · ligand · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- IOD · Iodide ion · ion · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7RQ0 · HIV Integrase CORE domain in complex with 2-{2-[2-(3-{[4-(2-{[(3-{2-[3-(carboxymethyl)-5-m… · the same entry in another collection · chain B against B, 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 7RQ0 · PDBe 7RQ0 · UniProt Q76353
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