Structure of PDB 1aeo Chain A Binding Site BS02
Receptor Information
>1aeo Chain A (length=291) Species:
4932
(Saccharomyces cerevisiae) [
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LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHI
SGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWIS
SGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGY
VRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEFY
LNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYAN
DQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL
Ligand information
Ligand ID
2AP
InChI
InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)/p+1
InChIKey
ICSNLGPSRYBMBD-UHFFFAOYSA-O
SMILES
Software
SMILES
ACDLabs 10.04
Nc1[nH+]cccc1
CACTVS 3.341
Nc1cccc[nH+]1
OpenEye OEToolkits 1.5.0
c1cc[nH+]c(c1)N
Formula
C5 H7 N2
Name
2-AMINOPYRIDINE
ChEMBL
DrugBank
ZINC
PDB chain
1aeo Chain A Residue 296 [
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Receptor-Ligand Complex Structure
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PDB
1aeo
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 G191 M230 M231 L232 D235
Binding residue
(residue number reindexed from 1)
H172 T177 G188 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:1aeo
,
PDBe:1aeo
,
PDBj:1aeo
PDBsum
1aeo
PubMed
11812152
UniProt
P00431
|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)
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