Structure of PDB 6sym Chain B Binding Site BS01

Receptor Information

>6sym Chain B (length=134) Species: 83333 (Escherichia coli K-12)

KPSAEELKKNLSEMQFYVTQNHGTEPPFTGRLLHNKRDGVYHCLICDAPL
FHSQTKYDSGCGWPSFYEPVSEESIRYIKDLSHGMQRIEIRCGNCDAHLG
HVFPDGPQPTGERYCVNSASLRFTDGENGEEING

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 6sym Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6sym Structure of Peptide methionine sulfoxide reductase MsrB at 1.63 Angstrom resolution
• Resolution: 1.6302 Å
• Binding residue (original residue number in PDB): C46 C49 C95 C98
• Binding residue (residue number reindexed from 1): C43 C46 C92 C95
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.8.4.12: peptide-methionine (R)-S-oxide reductase.

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0008270 zinc ion binding
• GO:0016491 oxidoreductase activity
• GO:0016671 oxidoreductase activity, acting on a sulfur group of donors, disulfide as acceptor
• GO:0033743 peptide-methionine (R)-S-oxide reductase activity
• GO:0033745 L-methionine-(R)-S-oxide reductase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006979 response to oxidative stress
• GO:0030091 protein repair
• GO:0046686 response to cadmium ion

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:6sym, PDBe:6sym, PDBj:6sym
• PDBsum: 6sym
• UniProt: P0A746|MSRB_ECOLI Peptide methionine sulfoxide reductase MsrB (Gene Name=msrB)