4CBY: Histone deacetylase 4

Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease. Determined by X-ray diffraction at 2.72 Å resolution. Released 11 Dec 2013.

Method

X-ray diffraction

Resolution

2.72 Å

Organism

HOMO SAPIENS

Chains

4

Atoms

11,435

Mol. weight

173.01 kDa

Ligands

ZN, KEE

Released

11 Dec 2013

Explore 4CBY in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4CBY contains 105 α-helices and 60 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 27 helices, 15 β-strands

Molecules and chains

>4CBY_1 HISTONE DEACETYLASE 4 (chains A, B, C, D)
MGSTKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGR
KATLEELQTVHSEAHTLLYGTNPANRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNE
VHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKL
LQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGP
GVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLG
GYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKV
LQQRPNANAVRSMEKVMEIHSKYWRCLQRHHHHHH

Ligands and cofactors

Water and common crystallization additives (NA) are not listed.

Primary 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. J Med Chem (2013) 56:9934-9954. DOI 10.1021/jm4011884 · PubMed

Related structures

Other PDB entries of the same protein (UniProt P56524 (AlphaFold model), which also has an AlphaFold model), best resolution first:

• 3V31 1.57 Å, Crystal Structure of the Peptide Bound Complex of the Ankyrin Repeat Domains of Human…
• 2VQM 1.8 Å, Structure of HDAC4 catalytic domain bound to a hydroxamic acid inhbitor
• 3UXG 1.85 Å, Crystal structure of RFXANK
• 5ZOO 1.85 Å, Crystal structure of histone deacetylase 4 (HDAC4) in complex with a SMRT corepressor…
• 3UZD 1.86 Å, Crystal structure of 14-3-3 GAMMA
• 2VQQ 1.9 Å, Structure of HDAC4 catalytic domain (a double cysteine-to-alanine mutant) bound to a…
• 2VQJ 2.1 Å, Structure of HDAC4 catalytic domain bound to a trifluoromethylketone inhbitor
• 2VQO 2.15 Å, Structure of HDAC4 catalytic domain with a gain-of-function muation bound to a…
• 6FYZ 2.15 Å, Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa…
• 8PDE 2.4 Å, Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4…
• 2H8N 2.6 Å, Structure of a glutamine-rich domain from histone deacetylase 4
• 5A2S 2.65 Å, Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone…

Browse structure collections

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