Structure of PDB 4aal Chain B Binding Site BS03

Receptor Information

>4aal Chain B (length=319) Species: 243231 (Geobacter sulfurreducens PCA)

EDVMKRAQGLFKPIPAKPPVMKDNPASPSRVELGRMLFFDPRLSASHLIS
CNTCHNVGLGGTDILETSIGHGWQKGPRNSPTVLNAVYNIAQFWDGRAED
LAAQAKGPVQASVEMNNKPENLVATLKSIPGYPPLFRKAFPGQGDPVTFD
NVAKAIEVFEATLVTPDAPFDKYLKGNRKAISSTAEQGLALFLDKGCAAC
HSGVNMGGTGYFPFGVREDPGVDDTGRYKVTSTAADKYVFRSPSLRNVAI
TMPYFHSGKVWKLKDAVKIMGSAQLGISITDADADKIVTFLNTLTGAQPK
VMHPVLPPNSDDTPRPVSN

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: 4aal Chain B Residue 425

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4aal Maca is a Second Cytochrome C Peroxidase of Geobacter Sulfurreducens.
• Resolution: 1.84 Å
• Binding residue (original residue number in PDB): N101 T278 P280
• Binding residue (residue number reindexed from 1): N79 T251 P253
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E136
• 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:4aal, PDBe:4aal, PDBj:4aal
• PDBsum: 4aal
• PubMed: 22417533
• UniProt: Q74FY6