Structure of PDB 1s84 Chain A Binding Site BS02

Receptor Information

>1s84 Chain A (length=223) Species: 9823 (Sus scrofa)

IVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRL
GEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRV
ATVSLPRSCAAAGTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKS
SYPGQITGNMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQK
NKPGVYTKVCNYVNWIQQTIAAN

Ligand information

• Ligand ID: DYB
• InChI: InChI=1S/C6H14BNO3/c8-3-1-2-4-9-7-10-5-6-11-7/h1-6,8H2/p+1
• InChIKey: KTZDASPSWBAPAR-UHFFFAOYSA-O
• SMILES:
  ACDLabs 10.04: O(B1OCCO1)CCCC[NH3+]
  OpenEye OEToolkits 1.5.0: B1(OCCO1)OCCCC[NH3+]
  CACTVS 3.341: [NH3+]CCCCOB1OCCO1
• Formula: C6 H15 B N O3
• Name: 4-(1,3,2-DIOXABOROLAN-2-YLOXY)BUTAN-1-AMINIUM
• DrugBank: DB02308
• PDB chain: 1s84 Chain A Residue 11

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1s84 X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): H57 S190 C191 G193 S195
• Binding residue (residue number reindexed from 1): H40 S172 C173 G175 S177
• 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:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis
• GO:0007586 digestion

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space

External links

• PDB: RCSB:1s84, PDBe:1s84, PDBj:1s84
• PDBsum: 1s84
• PubMed: 15005618
• UniProt: P00761|TRYP_PIG Trypsin