MolNFT v2 · #152601 · protein
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3
6HT8: “Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3”. X-ray diffraction at 2.497, 3 ligands (GQE, K, ZN). MolNFT v2 #152601 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6HT8
- Type
- protein
- Length
- 1,621 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.497
- Source
- Schistosoma mansoni
- UniProt
- A5H660
- Ligands
- GQE, K, ZN
Structure
x-ray diffraction · resolution 2.497 · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | — | protein | 398 | — | A5H660 |
| B | — | protein | 414 | — | A5H660 |
| C | — | protein | 411 | — | A5H660 |
Ligands and binding sites
- GQE · 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide · ligand · 4 copies · chains A, B, C, D
- K · Potassium ion · metal · 8 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 8 copies · chains A, B, C
- DMF · Dimethylformamide · additive · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6HT8 · Crystal structure of schistosoma mansoni HDAC8 complexed with a benzohydroxamate… · 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 A5H660
- Elsewhere: RCSB PDB 6HT8 · PDBe 6HT8 · UniProt A5H660
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