Structure of PDB 8g1z Chain A Binding Site BS01

Receptor Information
>8g1z Chain A (length=357) 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
EGGYNLTSISESMSMCTSMLLGDSPPSLDHLTPLKTSATVSINNVLRAHA
PFWSSLR
Ligand information
Ligand IDYIZ
InChIInChI=1S/C10H12N2O3/c1-7(13)11-6-8-2-4-9(5-3-8)10(14)12-15/h2-5,15H,6H2,1H3,(H,11,13)(H,12,14)
InChIKeyDWOKCNQEXSKNLD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01ONC(=O)c1ccc(CNC(C)=O)cc1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)NCc1ccc(cc1)C(=O)NO
FormulaC10 H12 N2 O3
Name4-(acetamidomethyl)-N-hydroxybenzamide
ChEMBL
DrugBank
ZINC
PDB chain8g1z Chain A Residue 801 [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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PDB8g1z Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		S531 G582 F583 H614 F643 Y745
Binding residue
(residue number reindexed from 1)		S90 G141 F142 H173 F202 Y304
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links