Structure of PDB 2a31 Chain A Binding Site BS03

Receptor Information

>2a31 Chain A (length=223) Species: 9823 (Sus scrofa)

IVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRL
GEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRV
ATVSLPRSCAAAGTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKS
SYPGQITGNMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQK
NKPGVYTKVCNYVNWIQQTIAAN

Ligand information

• Ligand ID: BO4
• InChI: InChI=1S/BH4O4/c2-1(3,4)5/h2-5H/q-1
• InChIKey: KCFLOKKYWBPKFN-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: [B-](O)(O)(O)O
  ACDLabs 10.04
  CACTVS 3.341: O[B-](O)(O)O
• Formula: B H4 O4
• Name: BORATE ION
• PDB chain: 2a31 Chain A Residue 901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2a31 NMR and crystallographic characterization of adventitious borate binding by trypsin.
• Resolution: 1.25 Å
• Binding residue (original residue number in PDB): S164 S167
• Binding residue (residue number reindexed from 1): S144 S147
• 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:2a31, PDBe:2a31, PDBj:2a31
• PDBsum: 2a31
• PubMed: 16536459
• UniProt: P00761|TRYP_PIG Trypsin