Structure of PDB 4xva Chain A Binding Site BS02

Receptor Information
>4xva Chain A (length=293) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAW
HTSGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPW
ISSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDA
DYVRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPWGAANNVFTNE
FYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEY
ANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL
Ligand information
Ligand IDBZI
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
InChIKeyHYZJCKYKOHLVJF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)[nH]cn2
CACTVS 3.341[nH]1cnc2ccccc12
FormulaC7 H6 N2
NameBENZIMIDAZOLE
ChEMBLCHEMBL306226
DrugBankDB02962
ZINCZINC000000331902
PDB chain4xva Chain A Residue 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xva One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites.
Resolution2.66 Å
Binding residue
(original residue number in PDB)		R72 F89 L92 E93 H96 S104 L107
Binding residue
(residue number reindexed from 1)		R71 F88 L91 E92 H95 S103 L106
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R48 H52 H175 W191 D235
Catalytic site (residue number reindexed from 1) R47 H51 H174 W190 D234
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

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Molecular Function
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Biological Process
External links
PDB RCSB:4xva, PDBe:4xva, PDBj:4xva
PDBsum4xva
PubMed26032594
UniProtP00431|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)

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