Structure of PDB 4a69 Chain B Binding Site BS01

Receptor Information
>4a69 Chain B (length=369) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPY
QASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLF
EFCSRYTGASLQGATQLNNKICDIAINWAGGLHHAKKFEASGFCYVNDIV
IGILELLKYHPRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKYGNYFFP
GTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVINQVVDFYQPTC
IVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTVR
NVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNS
RQYLDQIRQTIFENLKMLN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4a69 Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4a69 Structure of Hdac3 Bound to Co-Repressor and Inositol Tetraphosphate.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		D170 H172 D259
Binding residue
(residue number reindexed from 1)		D169 H171 D258
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.-
3.5.1.98: histone deacetylase.
Gene Ontology
Molecular Function
GO:0004407 histone deacetylase activity

View graph for
Molecular Function
External links
PDB RCSB:4a69, PDBe:4a69, PDBj:4a69
PDBsum4a69
PubMed22230954
UniProtO15379|HDAC3_HUMAN Histone deacetylase 3 (Gene Name=HDAC3)

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