Structure of PDB 3hci Chain A Binding Site BS01

Receptor Information

>3hci Chain A (length=153) Species: 340 (Xanthomonas campestris pv. campestris)

SQFDLTPPSPAQRDALIAGLSDEEQRVLLHHGTEAPFCGVFLDNKLDGVY
TCRLCGLPLFRSNAKFDSGTGWPSFFAPYDPAHVREIRDTSYGMVRTEIV
CARCDSHLGHVFPDGPPPTGERHSLNSVSLAFTEDGQPLPNPLQRAGAET
QPA

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: 3hci Chain A Residue 1000

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3hci Methionine sulfoxide reductase B displays a high level of flexibility.
• Resolution: 2.59 Å
• Binding residue (original residue number in PDB): C53 C56 C102 C105
• Binding residue (residue number reindexed from 1): C52 C55 C101 C104
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): T71 H108 H111 D115 R123 S125
• Catalytic site (residue number reindexed from 1): T70 H107 H110 D114 R122 S124
• Enzyme Commision number: 1.8.4.12: peptide-methionine (R)-S-oxide reductase.

Gene Ontology

Molecular Function

• 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:0046872 metal ion binding

Biological Process

• GO:0006979 response to oxidative stress
• GO:0030091 protein repair

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3hci, PDBe:3hci, PDBj:3hci
• PDBsum: 3hci
• PubMed: 19733575
• UniProt: Q8P4Q6