Structure of PDB 7bsa Chain A Binding Site BS02

Receptor Information
>7bsa 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 ID6SO
InChIInChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
InChIKeyFVQKQPVVCKOWLM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCCc1c[nH]c2ccc(Cl)cc12
OpenEye OEToolkits 2.0.5c1cc2c(cc1Cl)c(c[nH]2)CCN
FormulaC10 H11 Cl N2
Name2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine
ChEMBLCHEMBL1288716
DrugBank
ZINCZINC000000077277
PDB chain7bsa Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bsa Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Resolution1.22 Å
Binding residue
(original residue number in PDB)		D830 S831 Q833 S836 W852 G855 C856
Binding residue
(residue number reindexed from 1)		D171 S172 Q174 S177 W193 G196 C197
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H699 D743 Q833 G834 D835 S836 G837
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:7bsa, PDBe:7bsa, PDBj:7bsa
PDBsum7bsa
PubMed34094189
UniProtP00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)

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