Structure of PDB 7wb6 Chain A Binding Site BS01

Receptor Information

>7wb6 Chain A (length=223) Species: 9913 (Bos taurus)

IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRV
ASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKS
AYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQK
NKPGVYTKVCNYVSWIKQTIASN

Ligand information

• Ligand ID: F5R
• InChI: InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
• InChIKey: JODFDXUBCBQKNC-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: NC(=N)c1ccc(Br)cc1
  OpenEye OEToolkits 2.0.7: c1cc(ccc1C(=N)N)Br
  OpenEye OEToolkits 2.0.7: [H]/N=C(\c1ccc(cc1)Br)/N
• Formula: C7 H7 Br N2
• Name: 4-bromanylbenzenecarboximidamide;
  4-Bromobenzamidine
• ZINC: ZINC000001437890
• PDB chain: 7wb6 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7wb6 In situ crystal data-collection and ligand-screening system at SPring-8.
• Resolution: 1.48 Å
• Binding residue (original residue number in PDB): D194 S195 W216 G219
• Binding residue (residue number reindexed from 1): D171 S172 W193 G196
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.21.4: trypsin.

Gene Ontology

Molecular Function

• GO:0004175 endopeptidase activity
• GO:0004252 serine-type endopeptidase activity
• GO:0005515 protein binding
• GO:0008236 serine-type peptidase activity
• GO:0046872 metal ion binding
• GO:0097655 serpin family protein binding

Biological Process

• GO:0006508 proteolysis
• GO:0007586 digestion

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0097180 serine protease inhibitor complex

External links

• PDB: RCSB:7wb6, PDBe:7wb6, PDBj:7wb6
• PDBsum: 7wb6
• PubMed: 35647681
• UniProt: P00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)