Structure of PDB 8bjk Chain A Binding Site BS02

Receptor Information
>8bjk Chain A (length=353) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PITGLVYDQRMMLHHNMWDSHHPELPQRISRIFSRHEELRLLSRCHRIPA
RLATEEELALCHSSKHISIIKSSEHMKPRDLNRLGDEYNSIFISNESYTC
ALLAAGSCFNSAQAILTGQVRNAVAIVRPPGHHAEKDTACGFCFFNTAAL
TARYAQSITRESLRVLIVDWDVHHGNGTQHIFEEDDSVLYISLHRYEDGA
FFPNSEDANYDKVGLGKGRGYNVNIPWNGGKMGDPEYMAAFHHLVMPIAR
EFAPELVLVSAGFDAARGDPLGGFQVTPEGYAHLTHQLMSLAAGRVLIIL
EGGYNLTSISESMSMCTSMLLGDSPPSLPLKTSATVSINNVLRAHAPFWS
SLR
Ligand information
Ligand IDQXF
InChIInChI=1S/C14H15ClN4O3S/c1-23(21,22)19(13-4-2-3-11(15)7-13)9-12-6-5-10(8-17-12)14(20)18-16/h2-8H,9,16H2,1H3,(H,18,20)
InChIKeySBSZNKFUDSVSJK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)N(Cc1ccc(cn1)C(=O)NN)c2cccc(Cl)c2
OpenEye OEToolkits 2.0.7CS(=O)(=O)N(Cc1ccc(cn1)C(=O)NN)c2cccc(c2)Cl
FormulaC14 H15 Cl N4 O3 S
Name~{N}-[[5-(aminocarbamoyl)pyridin-2-yl]methyl]-~{N}-(3-chlorophenyl)methanesulfonamide
ChEMBL
DrugBank
ZINC
PDB chain8bjk Chain A Residue 804 [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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PDB8bjk Comprehensive Mechanistic View of the Hydrolysis of Oxadiazole-Based Inhibitors by Histone Deacetylase 6 (HDAC6).
Resolution1.35 Å
Binding residue
(original residue number in PDB)		P464 S531 H574 G582 F583 D612 H614 F643 Y745
Binding residue
(residue number reindexed from 1)		P23 S90 H133 G141 F142 D171 H173 F202 Y304
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links