Structure of PDB 8cj7 Chain A Binding Site BS01

Receptor Information
>8cj7 Chain A (length=356) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPITGLVYDQRMMLHHNMWDSHHPELPQRISRIFSRHEELRLLSRCHRIP
ARLATEEELALCHSSKHISIIKSSEHMKPRDLNRLGDEYNSIFISNESYT
CALLAAGSCFNSAQAILTGQVRNAVAIVRPPGHHAEKDTACGFCFFNTAA
LTARYAQSITRESLRVLIVDWDVHHGNGTQHIFEEDDSVLYISLHRYEDG
AFFPNSEDANYDKVGLGKGRGYNVNIPWNGGKMGDPEYMAAFHHLVMPIA
REFAPELVLVSAGFDAARGDPLGGFQVTPEGYAHLTHQLMSLAAGRVLII
LEGGYNLTSISESMSMCTSMLLGDSPPSLLTPLKTSATVSINNVLRAHAP
FWSSLR
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 chain8cj7 Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cj7 Selective and Bioavailable HDAC6 2-(Difluoromethyl)-1,3,4-oxadiazole Substrate Inhibitors and Modeling of Their Bioactivation Mechanism.
Resolution1.51 Å
Binding residue
(original residue number in PDB)		D612 H614 D705
Binding residue
(residue number reindexed from 1)		D172 H174 D265
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links