MolNFT v1 · #147375 · protein
HIV-1 integrase catalytic core domain complexed with allosteric inhibitor (2S)-tert-BUTOXY[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1- phenylisoquinolin-4-YL]ACETIC acid
6EB1: “HIV-1 integrase catalytic core domain complexed with allosteric inhibitor…”. X-ray diffraction, 1 ligand (J3M). MolNFT v1 #147375 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6EB1
- Type
- protein
- Length
- 135 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrase
- UniProt
- F2WR52
- Ligands
- J3M
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrase | protein | 135 | 50% helix, 21% strand | F2WR52 |
Ligands and binding sites
- J3M · (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]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
- 6EB1 · 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 6EB1 · PDBe 6EB1 · UniProt F2WR52
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