Structure of PDB 1s83 Chain A Binding Site BS03

Receptor Information

>1s83 Chain A (length=223) Species: 9823 (Sus scrofa)

IVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRL
GEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRV
ATVSLPRSCAAAGTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKS
SYPGQITGNMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQK
NKPGVYTKVCNYVNWIQQTIAAN

Ligand information

• Ligand ID: 4HA
• InChI: InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2/p+1
• InChIKey: BLFRQYKZFKYQLO-UHFFFAOYSA-O
• SMILES:
  CACTVS 3.341: [NH3+]CCCCO
  OpenEye OEToolkits 1.5.0: C(CCO)C[NH3+]
  ACDLabs 10.04: OCCCC[NH3+]
• Formula: C4 H12 N O
• Name: 4-HYDROXYBUTAN-1-AMINIUM
• DrugBank: DB02541
• PDB chain: 1s83 Chain A Residue 5

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1s83 X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
• Resolution: 1.25 Å
• Binding residue (original residue number in PDB): H57 S190 C191 S214
• Binding residue (residue number reindexed from 1): H40 S172 C173 S192
• 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:1s83, PDBe:1s83, PDBj:1s83
• PDBsum: 1s83
• PubMed: 15005618
• UniProt: P00761|TRYP_PIG Trypsin