Structure of PDB 4njr Chain B Binding Site BS02

Receptor Information

>4njr Chain B (length=425) Species: 208964 (Pseudomonas aeruginosa PAO1)

MRAELNQGLIDFLKASPTPFHATASLARRLEAAGYRRLDERDAWHTETGG
RYYVTRNDSSLIAIRLGRRSPLESGFRLVGAHTDSPCLRVKPNPEIARNG
FLQLGVEVYGGALFAPWFDRDLSLAGRVTFRANGKLESRLVDFRKAIAVI
PNLAIHLNRAANEGWPINAQNELPPIIAQLAPGEAADFRLLLDEQLLREH
GITADVVLDYELSFYDTQSAAVVGLNDEFIAGARLDNLLSCHAGLEALLN
AEGDENCILVCTDHEEVGSCSHCGADGPFLEQVLRRLLPEGDAFSRAIQR
SLLVSADNAHGVHPNYADRHDANHGPALNGGPVIKINSNQRYATNSETAG
FFRHLCQDSEVPVQSFVTRSDMGIGPITASQVGVRTVDIGLPTFAMHSIR
ELAGSHDLAHLVKVLGAFYASSELP

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: 4njr Chain B Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4njr Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D236 E266 H401
• Binding residue (residue number reindexed from 1): D236 E266 H397
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.11.-

Gene Ontology

Molecular Function

• GO:0004177 aminopeptidase activity
• GO:0008237 metallopeptidase activity
• GO:0008270 zinc ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:4njr, PDBe:4njr, PDBj:4njr
• PDBsum: 4njr
• PubMed: 24704201
• UniProt: Q9HYZ3|APEB_PSEAE Probable M18 family aminopeptidase 2 (Gene Name=apeB)