Research workbench
HIV integrase core domain in complex with inhibitor 2-(5-methyl-2-(2- (thiophen-2-YL)ETHYNYL)-1-benzofuran-3-YL)ACETIC acid
Analyse HIV integrase core domain in complex with inhibitor 2-(5-methyl-2-(2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6W42
- Type
- protein
- Length
- 139 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HIV integrase catalytic domain
- EC
- 2.7.7.49
- Ligands
- SJY, IOD, SO4
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HIV integrase catalytic domain (EC 2.7.7.49) | protein | 139 | 50% helix, 22% strand | — |
Ligands and binding sites
- SJY · 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid · ligand · chains A
- IOD · Iodide ion · ion · 4 copies · 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 (oxidation).
Compared structures
- 6W42 · HIV Integrase core domain in complex with 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
- Elsewhere: RCSB PDB 6W42 · PDBe 6W42
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