MolNFT v1 · #145594 · protein
Crystal structure of danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclohexenylhydroxamate
6CSP · HDAC6 protein: “Crystal structure of danio rerio histone deacetylase 6 catalytic domain 2 in complex with…”. X-ray diffraction, 4 ligands (FBM, K, ZN), 1 pocket (best druggability 0.72). MolNFT v1 #145594 on GenesisL1: 3D structure…
- PDB
- 6CSP
- Type
- protein
- Length
- 714 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HDAC6 protein
- UniProt
- A7YT55
- Ligands
- FBM, K, ZN, CL
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HDAC6 protein | protein | 356 | 44% helix, 14% strand | A7YT55 |
| B | HDAC6 protein | protein | 358 | 44% helix, 14% strand | A7YT55 |
Ligands and binding sites
- FBM · N-hydroxycyclohex-1-ene-1-carboxamide · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 4 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 22 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 731 | 0.72 | 0.78 | 63 | CL, FBM, EDO |
Interfaces
1 interface between chains.
- A–B · 365 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6CSP · 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 6CSP · PDBe 6CSP · UniProt A7YT55
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