Structure of PDB 1ac8 Chain A Binding Site BS02

Receptor Information

>1ac8 Chain A (length=291) Species: 4932 (Saccharomyces cerevisiae)

LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHI
SGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWIS
SGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGY
VRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEFY
LNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYAN
DQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL

Ligand information

• Ligand ID: TMZ
• InChI: InChI=1S/C6H10NS/c1-5-6(2)8-4-7(5)3/h4H,1-3H3/q+1
• InChIKey: LTPCOIDSGQEHKC-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: Cc1sc[n+](C)c1C
  OpenEye OEToolkits 1.5.0: Cc1c(sc[n+]1C)C
  ACDLabs 10.04: s1c(c([n+](c1)C)C)C
• Formula: C6 H10 N S
• Name: 3,4,5-TRIMETHYL-1,3-THIAZOLE
• PDB chain: 1ac8 Chain A Residue 296

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ac8 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

External links

• PDB: RCSB:1ac8, PDBe:1ac8, PDBj:1ac8
• PDBsum: 1ac8
• UniProt: P00431|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)