Research workbench
HIV integrase core domain (in) in complex with [5-(3-fluorophenyl)-1- benzofuran-3-YL]ACETIC acid
Analyse HIV integrase core domain (in) in complex with [5-(3-fluorophenyl)-1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6VQS
- Type
- protein
- Length
- 136 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrase
- EC
- 2.7.7.-
- UniProt
- Q76353
- Ligands
- R7J, IOD, SO4
- Pockets
- 1 · best druggability 0.25
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrase (EC 2.7.7.-) | protein | 136 | 45% helix, 23% strand | Q76353 |
Ligands and binding sites
- R7J · [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid · ligand · chains A
- IOD · Iodide ion · ion · 4 copies · 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.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.25 | 0.73 | 13 | empty |
Compared structures
- 6VQS · HIV Integrase Core domain (IN) in complex with… · 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 Q76353
- Elsewhere: RCSB PDB 6VQS · PDBe 6VQS · UniProt Q76353
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