Structure of PDB 7brv Chain A Binding Site BS02

Receptor Information
>7brv 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 IDF5R
InChIInChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
InChIKeyJODFDXUBCBQKNC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(=N)c1ccc(Br)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=N)N)Br
OpenEye OEToolkits 2.0.7[H]/N=C(\c1ccc(cc1)Br)/N
FormulaC7 H7 Br N2
Name4-bromanylbenzenecarboximidamide;
4-Bromobenzamidine
ChEMBL
DrugBank
ZINCZINC000001437890
PDB chain7brv Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7brv Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		D194 S195 G219
Binding residue
(residue number reindexed from 1)		D171 S172 G196
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7brv, PDBe:7brv, PDBj:7brv
PDBsum7brv
PubMed34094189
UniProtP00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)

[Back to BioLiP]