Structure of PDB 1aeq Chain A Binding Site BS02
Receptor Information
>1aeq Chain A (length=291) Species:
4932
(Saccharomyces cerevisiae) [
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LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHI
SGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWIS
SGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGY
VRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEFY
LNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYAN
DQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL
Ligand information
Ligand ID
2EZ
InChI
InChI=1S/C5H8N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
InChIKey
PQAMFDRRWURCFQ-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
n1ccnc1CC
CACTVS 3.341
OpenEye OEToolkits 1.5.0
CCc1[nH]ccn1
Formula
C5 H8 N2
Name
2-ETHYLIMIDAZOLE
ChEMBL
CHEMBL303797
DrugBank
ZINC
ZINC000084843279
PDB chain
1aeq Chain A Residue 296 [
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Receptor-Ligand Complex Structure
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PDB
1aeq
Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
H175 T180 F202 M230 M231 L232 D235
Binding residue
(residue number reindexed from 1)
H172 T177 F199 M227 M228 L229 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
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:1aeq
,
PDBe:1aeq
,
PDBj:1aeq
PDBsum
1aeq
PubMed
11812152
UniProt
P00431
|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)
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