Structure of PDB 2v2e Chain A Binding Site BS02

Receptor Information
>2v2e Chain A (length=291) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNAIGYGPVLVRLAWHT
SGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWIS
SGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDADY
VRTFFQRLNMNDREVVALMGAHALGKTHLKRSGYEGPWGAANNVFTNEFY
LNLLNENWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYAN
DQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL
Ligand information
Ligand IDISZ
InChIInChI=1S/C6H5N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4,7H/b9-7+
InChIKeyQFLYISKABRUWCS-VQHVLOKHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]/N=N/C(=O)c1ccncc1
ACDLabs 10.04O=C(N=[N@H])c1ccncc1
CACTVS 3.341N=NC(=O)c1ccncc1
OpenEye OEToolkits 1.5.0[H]N=NC(=O)c1ccncc1
FormulaC6 H5 N3 O
Name4-(DIAZENYLCARBONYL)PYRIDINE;
ISONIAZID;
TUBAZID;
RIMITSID;
ISONICOTINYLHYDRAZINE;
LANIZID;
NYDRAZID
ChEMBL
DrugBank
ZINC
PDB chain2v2e Chain A Residue 1296 [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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PDB2v2e The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases.
Resolution1.68 Å
Binding residue
(original residue number in PDB)		H52 P145
Binding residue
(residue number reindexed from 1)		H49 P142
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R48 H52 H175 W191 D235
Catalytic site (residue number reindexed from 1) R45 H49 H172 W188 D232
Enzyme Commision number 1.11.1.5: cytochrome-c peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0020037 heme binding
Biological Process
GO:0006979 response to oxidative stress
GO:0034599 cellular response to oxidative stress

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2v2e, PDBe:2v2e, PDBj:2v2e
PDBsum2v2e
PubMed18056997
UniProtP00431|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)

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