Structure of PDB 4niy Chain B Binding Site BS02

Receptor Information

>4niy Chain B (length=211) Species: 9913 (Bos taurus)

IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYESGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRV
ASISLPTSCASAGTQCLISGWGHTSHPDVLKCLKAPILSDSSCKSAYPGQ
ITSNMFCAGYGKKSCQGDSGGPVVCSGKLQGIVSWGSGCKPGVYTKVCNY
VSWIKQTIASN

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: 4niy Chain B Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4niy N-terminal protein modification by substrate-activated reverse proteolysis.
• Resolution: 2.84 Å
• Binding residue (original residue number in PDB): H143 H151
• Binding residue (residue number reindexed from 1): H123 H126
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D102 Q192 G193 D194 S195 G196
• Catalytic site (residue number reindexed from 1): H40 D84 Q166 G167 D168 S169 G170
• 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:4niy, PDBe:4niy, PDBj:4niy
• PDBsum: 4niy
• PubMed: 24520050
• UniProt: P00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)