Structure of PDB 7q0w Chain A Binding Site BS02

Receptor Information
>7q0w 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 IDPHN
InChIInChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
InChIKeyDGEZNRSVGBDHLK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2ccc3cccnc3c2nc1
CACTVS 3.341c1cnc2c(c1)ccc3cccnc23
ACDLabs 10.04n1c3c(ccc1)ccc2cccnc23
FormulaC12 H8 N2
Name1,10-PHENANTHROLINE
ChEMBLCHEMBL415879
DrugBankDB02365
ZINCZINC000000164363
PDB chain7q0w Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q0w Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Resolution1.2 Å
Binding residue
(original residue number in PDB)		F41 C42 H57 S195 S214
Binding residue
(residue number reindexed from 1)		F24 C25 H40 S177 S192
Annotation score1
Enzymatic activity
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:7q0w, PDBe:7q0w, PDBj:7q0w
PDBsum7q0w
PubMed35486702
UniProtP00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)

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