Structure of PDB 7q0x Chain A Binding Site BS03

Receptor Information
>7q0x 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 ID6PC
InChIInChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
InChIKeySIOXPEMLGUPBBT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccnc(c1)C(=O)O
ACDLabs 10.04O=C(O)c1ncccc1
CACTVS 3.341OC(=O)c1ccccn1
FormulaC6 H5 N O2
NamePYRIDINE-2-CARBOXYLIC ACID;
PICOLINIC ACID
ChEMBLCHEMBL72628
DrugBankDB05483
ZINCZINC000000039905
PDB chain7q0x Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q0x 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.
Resolution1.09 Å
Binding residue
(original residue number in PDB)		Q192 S195 V213
Binding residue
(residue number reindexed from 1)		Q174 S177 V191
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:7q0x, PDBe:7q0x, PDBj:7q0x
PDBsum7q0x
PubMed35486702
UniProtP00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)

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