Research workbench
HIV Integrase Catalytic Domain containing F185K mutation complexed with GSK0002
Analyse HIV Integrase Catalytic Domain containing F185K mutation complexed with GSK0002 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5HRN
- Type
- protein
- Length
- 148 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.75
- Source
- Human immunodeficiency virus 1
- Molecule
- Integrase
- UniProt
- P04585
- Ligands
- 65P, SO4
- Pockets
- 2 · best druggability 0.38
Structure
x-ray diffraction · resolution 1.75 · 1 distinct chain · 51% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrase | protein | 148 | 51% helix, 20% strand | P04585 |
Ligands and binding sites
- 65P · (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- CAC · Cacodylate ion · additive · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 98 | 0.38 | 0.75 | 19 | empty |
| 2 | 73 | 0.38 | 0.77 | 16 | CAC |
Compared structures
- 5HRN · HIV integrase catalytic domain containing F185K mutation complexed with GSK0002 · 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 P04585
- Elsewhere: RCSB PDB 5HRN · PDBe 5HRN · UniProt P04585
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