Structure of PDB 5xwj Chain A Binding Site BS02

Receptor Information

>5xwj Chain A (length=223) Species: 9823 (Sus scrofa)

IVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRL
GEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRV
ATVSLPRSCAAAGTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKS
SYPGQITGNMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQK
NKPGVYTKVCNYVNWIQQTIAAN

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: 5xwj Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xwj Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): E60 N62 V65 E70
• Binding residue (residue number reindexed from 1): E52 N54 V57 E62
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H48 D92 Q182 G183 D184 S185 G186
• Catalytic site (residue number reindexed from 1): H40 D84 Q174 G175 D176 S177 G178
• Enzyme Commision number: 3.4.21.4: trypsin.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis
• GO:0007586 digestion

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space

External links

• PDB: RCSB:5xwj, PDBe:5xwj, PDBj:5xwj
• PDBsum: 5xwj
• PubMed: 29486250
• UniProt: P00761|TRYP_PIG Trypsin