MolNFT v2 · #151531 · protein
Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3
6GXU: “Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3”. X-ray diffraction at 1.917, 3 ligands (FG8, K, ZN). MolNFT v2 #151531 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6GXU
- Type
- protein
- Length
- 1,609 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.917
- Source
- Schistosoma mansoni
- UniProt
- A5H660
- Ligands
- FG8, K, ZN
Structure
x-ray diffraction · resolution 1.917 · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 391 | — | A5H660 |
| B | — | protein | 410 | — | A5H660 |
| C | — | protein | 411 | — | A5H660 |
| D | — | protein | 397 | — | A5H660 |
Ligands and binding sites
- FG8 · (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide · 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
- DMF · Dimethylformamide · additive · 25 copies · chains A, B, D, C
- GOL · Glycerol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6GXU · Crystal structure of schistosoma mansoni HDAC8 complexed with an hydroxamate 3 · 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 6GXU · PDBe 6GXU · UniProt A5H660
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