MolNFT v1 · #147376 · protein
HIV-1 integrase catalytic core domain complexed with allosteric inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1- benzopyran-6-YL)ISOQUINOLIN-4-YL](TERT-BUTOXY)ACETIC acid
6EB2: “HIV-1 integrase catalytic core domain complexed with allosteric inhibitor…”. X-ray diffraction, 1 ligand (J3P). MolNFT v1 #147376 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6EB2
- Type
- protein
- Length
- 132 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrase
- UniProt
- F2WR52
- Ligands
- J3P
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrase | protein | 132 | 48% helix, 22% strand | F2WR52 |
Ligands and binding sites
- J3P · (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid · ligand · 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
- 6EB2 · 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 F2WR52
- Elsewhere: RCSB PDB 6EB2 · PDBe 6EB2 · UniProt F2WR52
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.