MolNFT v1 · #166379 · protein

Crystal structure of danio rerio histone deacetylase 6 catalytic domain 1 (CD1) Y363F mutant complexed with ar-42

6UO5: “Crystal structure of danio rerio histone deacetylase 6 catalytic domain 1 (CD1) Y363F mutant complexed with…”. X-ray diffraction, 3 ligands (QCP, K, ZN), 1 pocket (best druggability 0.56). MolNFT v1 #166379 on GenesisL1: 3D…

PDB: 6UO5
Type: protein
Length: 358 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Histone deacetylase 6
UniProt: F8W4B7
Ligands: QCP, K, ZN
Pockets: 1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Histone deacetylase 6	protein	358	43% helix, 13% strand	F8W4B7

Ligands and binding sites

QCP · Ar-42 · ligand · chains A
K · Potassium ion · metal · 2 copies · chains A
ZN · Zinc ion · metal · chains A
EDO · 1,2-ethanediol · additive · chains A

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	86	0.56	0.86	21	QCP

Compared structures

6UO5 · Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) Y363F… · 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 F8W4B7
Elsewhere: RCSB PDB 6UO5 · PDBe 6UO5 · UniProt F8W4B7

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