Brand  (β version)

PDB ID: 4CQF

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
K Potassium ion PoSSuM
9Z8 6-(2-mercaptoacetylamino)-N-phenylhexanamide PoSSuM
DMF Dimethylformamide PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 4CQF   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal structure of Schistosoma mansoni HDAC8 complexed with a mercaptoacetamide inhibitor
Release Data : 2014-04-02
Compound :
mol_id molecule chains
1 HISTONE DEACETYLASE 8 A,B,C,D
Source :
mol_id organism_scientific expression_system
1 SCHISTOSOMA MANSONI  (taxid:6183) ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_plasmid: PNEA/TH
Authors : Marek, M., Romier, C.
Keywords : HYDROLASE, STRUCTURAL PROTEIN, EUKARYOTES, PLATYHELMINTHS, EPIGENETICS, HISTONE DEACETYLASES, INHIBITION
Exp. method : X-RAY DIFFRACTION ( 2.30 Å )
Citation :

Molecular Basis for the Anti-Parasitic Activity of a Mercaptoacetamide Derivative that Inhibits Histone Deacetylase 8 (Hdac8) from the Human Pathogen Schistosoma Mansoni

Stolfa, D.A.,Marek, M.,Lancelot, J.  et al.
(2014)  J.Mol.Biol.  426 : 3442

PubMed: 24657767
DOI: 10.1016/J.JMB.2014.03.007

Reaction

Chain : A, B, C, D
UniProt : A5H660 (A5H660_SCHMA)
Reaction: EC: Evidence:
Physiological Direction:
H2O + N(6)-(2E)-butenoyl-L-lysyl-[protein] = (2E)-2-butenoate + L-lysyl-[protein] - ARBA:ARBA00029357
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H2O + N(6)-acetyl-L-lysyl-[histone] = acetate + L-lysyl- [histone] 3.5.1.98 ARBA:ARBA00029372
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H2O + N(6)-acetyl-L-lysyl-[protein] = acetate + L-lysyl- [protein] - ARBA:ARBA00029349
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