Structure of PDB 4niv Chain A Binding Site BS01

Receptor Information

>4niv Chain A (length=193) Species: 9913 (Bos taurus)

YTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYESGIQVRLGEDN
INVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASIS
LPTSCASAGTQCLISGWPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAG
YDSGGPVVCSGKLQGIVSWGSKPGVYTKVCNYVSWIKQTIASN

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: 4niv Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4niv N-terminal protein modification by substrate-activated reverse proteolysis.
• Resolution: 1.0 Å
• Binding residue (original residue number in PDB): E70 N72 V75 E80
• Binding residue (residue number reindexed from 1): E48 N50 V53 E58
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D102 D194 S195 G196
• Catalytic site (residue number reindexed from 1): H36 D80 D152 S153 G154
• 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:4niv, PDBe:4niv, PDBj:4niv
• PDBsum: 4niv
• PubMed: 24520050
• UniProt: P00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)