MolNFT v1 · #106876 · protein
HIV-1 integrase catalytic core domain mutant complexed with allosteric inhibitor
4TSX: “HIV-1 integrase catalytic core domain mutant complexed with allosteric inhibitor”. X-ray diffraction, 2 ligands (LF0, SO4). MolNFT v1 #106876 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4TSX
- Type
- protein
- Length
- 145 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrase
- UniProt
- F2WR39
- Ligands
- LF0, SO4
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrase | protein | 145 | 48% helix, 21% strand | F2WR39 |
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 · 2 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
- 4TSX · HIV-1 Integrase Catalytic Core Domain Mutant 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 F2WR39
- Elsewhere: RCSB PDB 4TSX · PDBe 4TSX · UniProt F2WR39
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