Structure of PDB 4cby Chain A

Receptor sequence
>4cbyA (length=380) Species: 9606 (Homo sapiens) [Search protein sequence]
TTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIR
GRKATLEELQTVHSEAHTLLYGTNPANRQKLDSKKLLGSLASVFVRLPCG
GVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGH
HAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFY
SDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPM
GDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARC
FGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPE
KVLQQRPNANAVRSMEKVMEIHSKYWRCLQ
3D structure
PDB4cby Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
ChainA
Resolution2.72 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 3.5.1.98: histone deacetylase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 KEE A R681 H802 H803 F812 D840 H842 F871 D934 R29 H150 H151 F160 D188 H190 F219 D282 PDBbind-CN: -logKd/Ki=7.70,IC50=0.02uM
BindingDB: IC50=20.0nM
BS02 ZN A D840 H842 D934 D188 H190 D282
BS03 ZN A C667 C669 H675 C751 C15 C17 H23 C99
External links
PDB RCSB:4cby, PDBe:4cby, PDBj:4cby
PDBsum4cby
PubMed24261862
UniProtP56524|HDAC4_HUMAN Histone deacetylase 4 (Gene Name=HDAC4)

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