Structure of PDB 3veq Chain B Binding Site BS01

Receptor Information

>3veq Chain B (length=223) Species: 9913 (Bos taurus)

IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRV
ASVSLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKS
AYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCAGKLQGIVSWGSGCAQK
NKPGVYTKVCNYVSWIKQTIASN

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: 3veq Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3veq Role of remote scaffolding residues in the inhibitory loop pre-organization, flexibility, rigidification and enzyme inhibition of serine protease inhibitors
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): E67 N69 V72 V73 E77
• Binding residue (residue number reindexed from 1): E52 N54 V57 V58 E62
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): G190 S192 G193
• Catalytic site (residue number reindexed from 1): G175 S177 G178
• 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:3veq, PDBe:3veq, PDBj:3veq
• PDBsum: 3veq
• PubMed: 22709512
• UniProt: P00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)