Brand  (β version)

PDB ID: 6ODA

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Ligands
Code Name Style Show Link
C7 N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide PoSSuM
ZN Zinc ion PoSSuM
K Potassium ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6ODA   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal structure of HDAC8 in complex with compound 2
Release Data : 2020-04-01
Compound :
mol_id molecule chains synonym
1 Histone deacetylase 8 A,B,C HD8
ec: 3.5.1.98
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: HDAC8, HDACL1, CDA07
expression_system_strain: BL21(DE3)
Authors : Zheng, X., Conti, C., Caravella, J., Zablocki, M.-M., Bair, K., Barczak, N., Han, B., Lancia Jr., D., Liu, C., Martin, M., Ng, P.Y., Rudnitskaya, A., Thomason, J.J., Garcia-Dancey, R., Hardy, C., Lahdenranta, J., Leng, C., Li, P., Pardo, E., Saldahna, A., Tan, T., Toms, A.V., Yao, L., Zhang, C.
Keywords : histone deacetylase, HDAC8, hydroxamic acid, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.88 Å )
Citation :

Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors

Zheng, X.,Conti, C.,Caravella, J.  et al.
To Be Published 

Reaction

Chain : A, B, C
UniProt : Q9BY41 (HDAC8_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
H2O + N(6)-acetyl-L-lysyl-[histone] = acetate + L-lysyl- [histone] 3.5.1.98 PubMed:10748112, PubMed:10922473, PubMed:10926844, PubMed:28497810
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H2O + N(6)-acetyl-L-lysyl-[protein] = acetate + L-lysyl- [protein] - PubMed:22885700
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H2O + N(6)-(2E)-butenoyl-L-lysyl-[protein] = (2E)-2-butenoate + L-lysyl-[protein] - PubMed:28497810
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