MolNFT v1 · #124494 · protein
HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3, 4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2- methylpropan-2-YL)OXY]ETHANOIC acid
5KGW · Integrase: “HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3…”. X-ray diffraction, 2 ligands (7SK, SO4). MolNFT v1 #124494 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5KGW
- Type
- protein
- Length
- 136 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrase
- UniProt
- Q76353
- Ligands
- 7SK, SO4
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrase | protein | 136 | 49% helix, 23% strand | Q76353 |
Ligands and binding sites
- 7SK · (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 5KGW · HIV1 catalytic core domain in complex with inhibitor… · 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 5KGW · PDBe 5KGW · UniProt Q76353
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