Structure of PDB 5t3h Chain A Binding Site BS02

Receptor Information

>5t3h Chain A (length=223) Species: 9913 (Bos taurus)

IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRV
ASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKS
AYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQK
NKPGVYTKVCNYVSWIKQTIASN

Ligand information

• Ligand ID: SEY
• InChI: InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4)
• InChIKey: IYKVLICPFCEZOF-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.370: NC(N)=[Se]
  OpenEye OEToolkits 1.7.6: C(=[Se])(N)N
  ACDLabs 12.01: [Se]=C(N)N
• Formula: C H4 N2 Se
• Name: selenourea
• ChEMBL: CHEMBL3187603
• PDB chain: 5t3h Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5t3h Selenourea: a convenient phasing vehicle for macromolecular X-ray crystal structures.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): N74 V76
• Binding residue (residue number reindexed from 1): N56 V58
• Annotation score: 1

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 Q174 G175 D176 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:5t3h, PDBe:5t3h, PDBj:5t3h
• PDBsum: 5t3h
• PubMed: 27841370
• UniProt: P00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)