Structure of PDB 2rby Chain X Binding Site BS02

Receptor Information
>2rby Chain X (length=292) Species: 307796 (Saccharomyces cerevisiae YJM789) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWH
ISGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWI
SSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAG
YVRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEF
YLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYA
NDQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL
Ligand information
Ligand ID280
InChIInChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3
InChIKeyBNYKZFOZWZMEJD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=Cc1cncn1C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cn1cncc1C=O
FormulaC5 H6 N2 O
Name1-methyl-1H-imidazole-5-carbaldehyde
ChEMBLCHEMBL190795
DrugBank
ZINCZINC000000158990
PDB chain2rby Chain X Residue 2001 [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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PDB2rby Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H175 L177 G191 M230 L232 D235
Binding residue
(residue number reindexed from 1)		H173 L175 G189 M228 L230 D233
Annotation score1
Enzymatic activity
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:2rby, PDBe:2rby, PDBj:2rby
PDBsum2rby
PubMed18280498
UniProtP00431|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)

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