Structure of PDB 1ac4 Chain A Binding Site BS02
Receptor Information
>1ac4 Chain A (length=291) Species:
4932
(Saccharomyces cerevisiae) [
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LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHI
SGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWIS
SGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGY
VRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEFY
LNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYAN
DQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL
Ligand information
Ligand ID
TMT
InChI
InChI=1S/C6H10NS/c1-5-4-8-6(2)7(5)3/h4H,1-3H3/q+1
InChIKey
UHOYCVRPRYFLFR-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
Cc1scc(C)[n+]1C
OpenEye OEToolkits 1.5.0
Cc1csc([n+]1C)C
ACDLabs 10.04
s1cc([n+](c1C)C)C
Formula
C6 H10 N S
Name
2,3,4-TRIMETHYL-1,3-THIAZOLE
ChEMBL
DrugBank
ZINC
ZINC000000160217
PDB chain
1ac4 Chain A Residue 296 [
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Receptor-Ligand Complex Structure
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PDB
1ac4
The Asp-His-Fe Triad of Cytochrome C Peroxidase Controls the Reduction Potential, Electronic Structure, and Coupling of the Tryptophan Free Radical to the Heme
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
H175 K179 T180 G191 L232 D235
Binding residue
(residue number reindexed from 1)
H172 K176 T177 G188 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
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Molecular Function
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Biological Process
External links
PDB
RCSB:1ac4
,
PDBe:1ac4
,
PDBj:1ac4
PDBsum
1ac4
PubMed
UniProt
P00431
|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)
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