Structure of PDB 2vhd Chain B Binding Site BS03

Receptor Information

>2vhd Chain B (length=323) Species: 287 (Pseudomonas aeruginosa)

DALHDQASALFKPIPEQVTELRGQPISEQQRELGKKLFFDPRLSRSHVLS
CNTCHNVGTGGADNVPTSVGHGWQKGPRNSPTVFNAVFNAAQFWDGRAKD
LGEQAKGPIQNSVEMHSTPQLVEQTLGSIPEYVDAFRKAFPKAGKPVSFD
NMALAIEAYEATLVTPDSPFDLYLKGDDKALDAQQKKGLKAFMDSGCSAC
HNGINLGGQAYFPFGLVKKPDASVLPSGDKGRFAVTKTQSDEYVFRAAPL
RNVALTAPYFHSGQVWELKDAVAIMGNAQLGKQLAPDDVENIVAFLHSLS
GKQPRVEYPLLPASTETTPRPAE

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2vhd Chain B Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2vhd Redox-Linked Structural Changes Associated with the Formation of a Catalytically Competent Form of the Diheme Cytochrome C Peroxidase from Pseudomonas Aeruginosa
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): N79 T256 P258
• Binding residue (residue number reindexed from 1): N79 T256 P258
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E114
• Catalytic site (residue number reindexed from 1): E114
• Enzyme Commision number: 1.11.1.5: cytochrome-c peroxidase.

Gene Ontology

Molecular Function

• GO:0004130 cytochrome-c peroxidase activity
• GO:0004601 peroxidase activity
• GO:0009055 electron transfer activity
• GO:0016491 oxidoreductase activity
• GO:0020037 heme binding
• GO:0046872 metal ion binding

Biological Process

• GO:0098869 cellular oxidant detoxification

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:2vhd, PDBe:2vhd, PDBj:2vhd
• PDBsum: 2vhd
• PubMed: 18217775
• UniProt: P14532|CCPR_PSEAE Cytochrome c551 peroxidase (Gene Name=ccpA)