Structure of PDB 2y5a Chain A Binding Site BS02

Receptor Information
>2y5a Chain A (length=292) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWH
ISGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWI
SSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAG
YVRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEF
YLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYA
NDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL
Ligand information
Ligand ID3AP
InChIInChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2/p+1
InChIKeyCUYKNJBYIJFRCU-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		Nc1ccc[nH+]c1
OpenEye OEToolkits 1.5.0c1cc(c[nH+]c1)N
FormulaC5 H7 N2
Name3-AMINOPYRIDINE
ChEMBL
DrugBank
ZINC
PDB chain2y5a Chain A Residue 1295 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2y5a Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		H175 L177 K179 T180 L232 D235
Binding residue
(residue number reindexed from 1)		H173 L175 K177 T178 L230 D233
Annotation score1
Binding affinityMOAD: Kd=0.055mM
Enzymatic activity
Catalytic site (original residue number in PDB) R48 H52 H175 G191 D235
Catalytic site (residue number reindexed from 1) R46 H50 H173 G189 D233
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:2y5a, PDBe:2y5a, PDBj:2y5a
PDBsum2y5a
PubMed21916516
UniProtP00431|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)

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