Brand  (β version)

PDB ID: 6GX3

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Ligands
Code Name Style Show Link
DMF Dimethylformamide PoSSuM
FF2 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide PoSSuM
GOL Glycerol PoSSuM
K Potassium ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6GX3   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 1
Release Data : 2018-08-15
Compound :
mol_id molecule chains
1 Histone deacetylase A,B,C,D
ec: 3.5.1.98
Source :
mol_id organism_scientific organism_common expression_system
1 Schistosoma mansoni  (taxid:6183) Blood fluke Escherichia coli  (taxid:562)
gene: HDAC8
Authors : Shaik, T.B., Marek, M., Romier, C.
Keywords : Epigenetics, Histone deacetylase, HDAC8, Selective inhibitor, Pathogen, hydrolase
Exp. method : X-RAY DIFFRACTION ( 2.100 Å )
Citation :

Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.

Bayer, T.,Chakrabarti, A.,Lancelot, J.  et al.
(2018)  ChemMedChem  13 : 1517 - 1529

PubMed: 29806110
DOI: 10.1002/cmdc.201800238

Reaction

Chain : A, B, C, D
UniProt : A5H660 (A5H660_SCHMA)
Reaction: EC: Evidence:
Physiological Direction:
N(6)-(2E)-butenoyl-L-lysyl-[protein] + H2O = (2E)-2-butenoate + L-lysyl-[protein] - ARBA:ARBA00049193
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N(6)-acetyl-L-lysyl-[histone] + H2O = L-lysyl-[histone] + acetate 3.5.1.98 ARBA:ARBA00049416
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N(6)-acetyl-L-lysyl-[protein] + H2O = L-lysyl-[protein] + acetate - ARBA:ARBA00049136
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