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BioLiP

Structure of PDB 1aet Chain A Binding Site BS02

Receptor Information
>1aet 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]
LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHI
SGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWIS
SGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGY
VRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEFY
LNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYAN
DQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL
Ligand information
Ligand ID1MZ
InChIInChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/p+1
InChIKeyMCTWTZJPVLRJOU-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cn1cc[nH+]c1
ACDLabs 10.04c1c[nH+]cn1C
FormulaC4 H7 N2
Name1-METHYLIMIDAZOLE
ChEMBL
DrugBankDB02671
ZINC
PDB chain1aet Chain A Residue 296 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1aet A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H175 T180 G191 M230 D235
Binding residue
(residue number reindexed from 1)		H172 T177 G188 M227 D232
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R48 H52 H175 G191 D235
Catalytic site (residue number reindexed from 1) R45 H49 H172 G188 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

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Molecular Function
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Biological Process
External links
PDB RCSB:1aet, PDBe:1aet, PDBj:1aet
PDBsum1aet
PubMed8673607
UniProtP00431|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)

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