Structure of PDB 3pw3 Chain A Binding Site BS01

Receptor Information

>3pw3 Chain A (length=374) Species: 435591 (Parabacteroides distasonis ATCC 8503)

EGFVFTTVKENPITSVKNQNRAGTCWCYSSYSFLESELLRMGKGEYDLSE
MFTVYNTYLDRADAAVRTHGDVSFSQGGSFYDALYGMETFGLVPEEEMRP
GMMYADTLSNHTELSALTDAMVAAIAKGKLRKLQSDENNAMLWKKAVAAV
HQIYLGVPPEKFTYKGKEYTPKSFFESTGLKASDYVSLTSYTHHPFYTQF
PLEIQDNWRHGMSYNLPLDEFMEVFDNAINTGYTIAWGSDVSESGFTRDG
VAVMPDDEKVQELSGSDMAHWLKLKPEEKKLNTKPQPQKWCTQAERQLAY
DNYETTDDHGMQIYGIAKDQEGNEYYMVKNSWGTNSKYNGIWYASKAFVR
YKTMNIVVHKDALPKAIKAKLGIK

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: 3pw3 Chain A Residue 406

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3pw3 Crystal structure of a cysteine protease (BDI_2249) from Parabacteroides distasonis ATCC 8503 at 2.23 A resolution
• Resolution: 2.23 Å
• Binding residue (original residue number in PDB): C56 H340
• Binding residue (residue number reindexed from 1): C25 H309
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): Q50 C56
• Catalytic site (residue number reindexed from 1): Q19 C25

Gene Ontology

Molecular Function

• GO:0004177 aminopeptidase activity
• GO:0008234 cysteine-type peptidase activity
• GO:0046872 metal ion binding
• GO:0070005 cysteine-type aminopeptidase activity

Biological Process

• GO:0006508 proteolysis
• GO:0009636 response to toxic substance
• GO:0043418 homocysteine catabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3pw3, PDBe:3pw3, PDBj:3pw3
• PDBsum: 3pw3
• UniProt: A6LE66