Structure of PDB 7brx Chain A Binding Site BS02

Receptor Information
>7brx Chain A (length=223) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRV
ASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKS
AYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQK
NKPGVYTKVCNYVSWIKQTIASN
Ligand information
Ligand IDF5U
InChIInChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyJTEJPPKMYBDEMY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)c(c[nH]2)CCN
CACTVS 3.385COc1ccc2[nH]cc(CCN)c2c1
FormulaC11 H14 N2 O
Name2-(5-methoxy-1H-indol-3-yl)ethanamine;
5-Methoxytryptamine
ChEMBLCHEMBL8165
DrugBank
ZINCZINC000000057163
PDB chain7brx Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7brx Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		S195 Q197 S200 G219 C220
Binding residue
(residue number reindexed from 1)		S172 Q174 S177 G196 C197
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H63 D107 Q197 G198 D199 S200 G201
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7brx, PDBe:7brx, PDBj:7brx
PDBsum7brx
PubMed34094189
UniProtP00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)

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