Structure of PDB 1aej Chain A Binding Site BS02
Receptor Information
>1aej 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 ID
NVI
InChI
InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2/p+1
InChIKey
OSSNTDFYBPYIEC-UHFFFAOYSA-O
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C=C[n+]1cc[nH]c1
ACDLabs 10.04
C=C\[n+]1ccnc1
CACTVS 3.341
C=C[n+]1c[nH]cc1
Formula
C5 H7 N2
Name
1-VINYLIMIDAZOLE
ChEMBL
DrugBank
ZINC
ZINC000005853223
PDB chain
1aej Chain A Residue 296 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
1aej
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 L177 G178 K179 M230 D235
Binding residue
(residue number reindexed from 1)
H172 L174 G175 K176 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
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:1aej
,
PDBe:1aej
,
PDBj:1aej
PDBsum
1aej
PubMed
11812152
UniProt
P00431
|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)
[
Back to BioLiP
]