Structure of PDB 3t28 Chain A Binding Site BS04

Receptor Information

>3t28 Chain A (length=223) Species: 9913 (Bos taurus)

IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRV
ASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKS
AYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQK
NKPGVYTKVCNYVSWIKQTIASN

Ligand information

• Ligand ID: TMO
• InChI: InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
• InChIKey: UYPYRKYUKCHHIB-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.370
  OpenEye OEToolkits 1.7.0: C[N+](C)(C)[O-]
  ACDLabs 12.01: [O-][N+](C)(C)C
• Formula: C3 H9 N O
• Name: trimethylamine oxide
• ZINC: ZINC000000895494
• PDB chain: 3t28 Chain A Residue 265

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3t28 The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): Y20 T26
• Binding residue (residue number reindexed from 1): Y5 T11
• 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:3t28, PDBe:3t28, PDBj:3t28
• PDBsum: 3t28
• PubMed: 22194335
• UniProt: P00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)