Structure of PDB 2a32 Chain A Binding Site BS03

Receptor Information
>2a32 Chain A (length=223) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRL
GEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRV
ATVSLPRSCAAAGTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKS
SYPGQITGNMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQK
NKPGVYTKVCNYVNWIQQTIAAN
Ligand information
Ligand IDPBC
InChIInChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
InChIKeyHXITXNWTGFUOAU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0B(c1ccccc1)(O)O
ACDLabs 10.04
CACTVS 3.341		OB(O)c1ccccc1
FormulaC6 H7 B O2
NamePHENYL BORONIC ACID
ChEMBLCHEMBL21485
DrugBankDB01795
ZINCZINC000169743014
PDB chain2a32 Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2a32 NMR and crystallographic characterization of adventitious borate binding by trypsin.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H57 Q192 S195
Binding residue
(residue number reindexed from 1)		H40 Q174 S177
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2a32, PDBe:2a32, PDBj:2a32
PDBsum2a32
PubMed16536459
UniProtP00761|TRYP_PIG Trypsin

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