MolNFT v1 · #121317 · protein
HIV integrase catalytic domain containing F185K + A124N + T125A mutations complexed with GSK0002
5HRS: “HIV integrase catalytic domain containing F185K + A124N + T125A mutations complexed with GSK0002”. X-ray diffraction, 2 ligands (65P, SO4). MolNFT v1 #121317 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5HRS
- Type
- protein
- Length
- 139 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrase
- UniProt
- P04585
- Ligands
- 65P, SO4
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrase | protein | 139 | 53% helix, 22% strand | P04585 |
Ligands and binding sites
- 65P · (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- CAC · Cacodylate ion · additive · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5HRS · HIV Integrase Catalytic Domain containing F185K + A124N + T125A mutations complexed with… · 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 P04585
- Elsewhere: RCSB PDB 5HRS · PDBe 5HRS · UniProt P04585
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