Structure of PDB 1aet Chain A Binding Site BS02
Receptor Information
>1aet Chain A (length=291) Species:
4932
(Saccharomyces cerevisiae) [
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LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHI
SGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWIS
SGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGY
VRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEFY
LNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYAN
DQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL
Ligand information
Ligand ID
1MZ
InChI
InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/p+1
InChIKey
MCTWTZJPVLRJOU-UHFFFAOYSA-O
SMILES
Software
SMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0
Cn1cc[nH+]c1
ACDLabs 10.04
c1c[nH+]cn1C
Formula
C4 H7 N2
Name
1-METHYLIMIDAZOLE
ChEMBL
DrugBank
DB02671
ZINC
PDB chain
1aet Chain A Residue 296 [
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Receptor-Ligand Complex Structure
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PDB
1aet
A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Resolution
2.1 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 score
1
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
PDBsum
1aet
PubMed
8673607
UniProt
P00431
|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)
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