MolNFT v1 · #94989 · protein
HIV-1 integrase catalytic core domain complexed with allosteric inhibitor
4ID1 · Gag-pol polyprotein: “HIV-1 integrase catalytic core domain complexed with allosteric inhibitor”. X-ray diffraction, 2 ligands (LF0, SO4). MolNFT v1 #94989 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4ID1
- Type
- protein
- Length
- 142 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gag-pol polyprotein
- EC
- 3.4.23.16, 2.7.7.49, 2.7.7.7, 3.1.26.13, 3.1.13.2
- UniProt
- P12497
- Ligands
- LF0, SO4
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gag-pol polyprotein (EC 3.4.23.16, 2.7.7.49, 2.7.7.7, 3.1.26.13, 3.1.13.2) | protein | 142 | 49% helix, 22% strand | P12497 |
Ligands and binding sites
- LF0 · (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic 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
- 4ID1 · HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric 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 P12497
- Elsewhere: RCSB PDB 4ID1 · PDBe 4ID1 · UniProt P12497
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.