Structure of PDB 6bfp Chain A Binding Site BS01

Receptor Information

>6bfp Chain A (length=221) Species: 9913 (Bos taurus)

IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRV
ASISLPTSCASAGTQCLISGWGNTKSTSYPDVLKCLKAPILSDSSCKSAY
PGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNK
PGVYTKVCNYVSWIKQTIASN

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: 6bfp Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6bfp Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
• Resolution: 1.292 Å
• Binding residue (original residue number in PDB): E75 N77 V80 E85
• Binding residue (residue number reindexed from 1): E52 N54 V57 E62
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H63 D107 Q197 G198 D199 S200 G201
• Catalytic site (residue number reindexed from 1): H40 D84 Q172 G173 D174 S175 G176
• 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:6bfp, PDBe:6bfp, PDBj:6bfp
• PDBsum: 6bfp
• PubMed: 30876891
• UniProt: P00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)