Brand  (β version)

PDB ID: 4CBT

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
9F4 (1r,2r,3r)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 4CBT   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington'S disease
Release Data : 2013-12-11
Compound :
mol_id molecule chains synonym
1 HISTONE DEACETYLASE 4 A,B,C HD4, HDAC4
ec: 3.5.1.98
fragment: CATALYTIC DOMAIN, RESIDUES 648-1033
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
Authors : Burli, R.W., Luckhurst, C.A., Aziz, O., Matthews, K.L., Yates, D., Lyons, K.A., Beconi, M., McAllister, G., Breccia, P., Stott, A.J., Penrose, S.D., Wall, M., Lamers, M., Leonard, P., Mueller, I., Richardson, C.M., Jarvis, R., Stones, L., Hughes, S., Wishart, G., Haughan, A.F., O'Connell, C., Mead, T., McNeil, H., Vann, J., Mangette, J., Maillard, M., Beaumont, V., Munoz-Sanjuan, I., Dominguez, C.
Keywords : HYDROLASE, NEURODEGENERATION, HUNTINGTONS DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, MUSCLE ATROPHY, CLASS IIA HISTONE DEACETYLASE INHIBITORS, SAR, HYDROXAMIC ACID, CYCLOPROPANATION
Exp. method : X-RAY DIFFRACTION ( 3.03 Å )
Citation :

Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.

Burli, R.W.,Luckhurst, C.A.,Aziz, O.  et al.
(2013)  J. Med. Chem.  56 : 9934 - 9954

PubMed: 24261862
DOI: 10.1021/jm4011884

Reaction

Chain : A, B, C
UniProt : P56524 (HDAC4_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
H2O + N(6)-acetyl-L-lysyl-[histone] = acetate + L-lysyl- [histone] 3.5.1.98 PubMed:10220385, PubMed:10523670, PubMed:12032081
left-to-right PubMed:10523670, PubMed:12032081