MolNFT v1 · #157191 · protein
Crystal structure of danio rerio histone deacetylase 6 catalytic domain 2 in complex with a mercaptoacetamide-based inhibitor
6MR5: “Crystal structure of danio rerio histone deacetylase 6 catalytic domain 2 in complex with a…”. X-ray diffraction, 3 ligands (W45, K, ZN). MolNFT v1 #157191 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6MR5
- Type
- protein
- Length
- 711 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- A7YT55
- Ligands
- W45, K, ZN
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 355 | — | A7YT55 |
| B | — | protein | 356 | — | A7YT55 |
Ligands and binding sites
- W45 · N-[5-(5,6-dichloro-1H-indol-1-yl)pentyl]-2-sulfanylacetamide · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 4 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
- FLC · Citrate anion · additive · chains B
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6MR5 · Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 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 A7YT55
- Elsewhere: RCSB PDB 6MR5 · PDBe 6MR5 · UniProt A7YT55
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