Structure of PDB 4pv4 Chain A Binding Site BS01

Receptor Information

>4pv4 Chain A (length=436) Species: 632 (Yersinia pestis)

MTQQEYQNRRQALLAKMAPGSAAIIFAAPEATRSADSEYPYRQNSDFSYL
TGFNEPEAVLILVKSDETHNHSVLFNRIRDLTAEIWFGRRLGQEAAPTKL
AVDRALPFDEINEQLYLLLNRLDVIYHAQGQYAYADNIVFAALEKLRHGF
RKNLRAPATLTDWRPWLHEMRLFKSAEEIAVLRRAGEISALAHTRAMEKC
RPGMFEYQLEGEILHEFTRHGARYPAYNTIVGGGENGCILHYTENECELR
DGDLVLIDAGCEYRGYAGDITRTFPVNGKFTPAQRAVYDIVLAAINKSLT
LFRPGTSIREVTEEVVRIMVVGLVELGILKGDIEQLIAEQAHRPFFMHGL
SHWLGMDVHDVGDYGSSDRGRILEPGMVLTVEPGLYIAPDADVPPQYRGI
GIRIEDDIVITATGNENLTASVVKDPDDIEALMALN

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4pv4 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4pv4 Proline aminopeptidase P II from Yersinia pestis
• Resolution: 1.76 Å
• Binding residue (original residue number in PDB): D258 D269 E405
• Binding residue (residue number reindexed from 1): D258 D269 E405
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D36 H241 D258 D269 H348 H352 H359 E382 Y386 R403 E405
• Catalytic site (residue number reindexed from 1): D36 H241 D258 D269 H348 H352 H359 E382 Y386 R403 E405
• Enzyme Commision number: 3.4.11.9: Xaa-Pro aminopeptidase.

Gene Ontology

Molecular Function

• GO:0004177 aminopeptidase activity
• GO:0008235 metalloexopeptidase activity
• GO:0008237 metallopeptidase activity
• GO:0030145 manganese ion binding
• GO:0046872 metal ion binding
• GO:0046914 transition metal ion binding
• GO:0070006 metalloaminopeptidase activity

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:4pv4, PDBe:4pv4, PDBj:4pv4
• PDBsum: 4pv4
• UniProt: A0A2S9PFE9