Structure of PDB 1bva Chain A Binding Site BS01

Receptor Information

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

LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYENYIGYGDDLVRLAWHI
SGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWIS
SGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGY
VRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPWGAANNVFTNEFY
LNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYAN
DQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 1bva Chain A Residue 391

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1bva Rational design of a functional metalloenzyme: introduction of a site for manganese binding and oxidation into a heme peroxidase.
• Resolution: 1.89 Å
• Binding residue (original residue number in PDB): I40 G41 D45
• Binding residue (residue number reindexed from 1): I37 G38 D42
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R48 H52 H175 W191 D235
• Catalytic site (residue number reindexed from 1): R45 H49 H172 W188 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:1bva, PDBe:1bva, PDBj:1bva
• PDBsum: 1bva
• PubMed: 9836578
• UniProt: P00431|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)