Structure of PDB 2rbz Chain X Binding Site BS02

Receptor Information
>2rbz 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 ID282
InChIInChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
InChIKeyUMJSCPRVCHMLSP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COc1cccnc1
ACDLabs 10.04O(c1cccnc1)C
FormulaC6 H7 N O
Name3-methoxypyridine
ChEMBL
DrugBank
ZINCZINC000000403175
PDB chain2rbz 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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PDB2rbz Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H175 T180 G191 M230 D235
Binding residue
(residue number reindexed from 1)		H173 T178 G189 M228 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

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Molecular Function
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Biological Process
External links
PDB RCSB:2rbz, PDBe:2rbz, PDBj:2rbz
PDBsum2rbz
PubMed18280498
UniProtP00431|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)

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