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Crystal structure of schistosoma mansoni HDAC8 with dmso bound in the active site

Analyse Crystal structure of schistosoma mansoni HDAC8 with dmso bound in the active… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7POZ
Type: protein
Length: 405 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Histone deacetylase 8
UniProt: A5H660
Ligands: K, ZN
Pockets: 2 · best druggability 0.35

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Histone deacetylase 8	protein	405	43% helix, 13% strand	A5H660

Ligands and binding sites

K · Potassium ion · metal · 2 copies · chains A
ZN · Zinc ion · metal · chains A
GOL · Glycerol · additive · chains A
DMS · Dimethyl sulfoxide · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	56	0.35	0.78	14	GOL
2	66	0.30	0.74	19	empty

Compared structures

7POZ · Crystal structure of Schistosoma mansoni HDAC8 with DMSO bound in the active site · 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 7POZ · PDBe 7POZ · UniProt A5H660

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