Structure of PDB 6zov Chain D Binding Site BS01

Receptor Information
>6zov Chain D (length=235) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGSDAKEGAWPWVVGLYYDDRLLCGASLVSSDWLVSAAHCVYGRNLEP
SKWTAILGLHMKSNLTSPQTVPRLIDEIVINPHYNRRRKDNDIAMMHLEF
KVNYTDYIQPISLPEENQVFPPGRNCSIAGWGTVVYQGTTADILQEADVP
LLSNERCQQQMPEYNITENMICAGYEEGGIDSCQGDSGGPLMCQENNRWF
LAGVTSFGYECALPNRPGVYARVSRFTEWIQSFLH
Ligand information
Ligand IDGBS
InChIInChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
InChIKeySXTSBZBQQRIYCU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C(\N)/Nc1ccc(cc1)C(=O)O
CACTVS 3.385NC(=N)Nc1ccc(cc1)C(O)=O
ACDLabs 12.01NC(=N)Nc1ccc(cc1)C(=O)O
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)O)NC(=N)N
FormulaC8 H9 N3 O2
Name4-carbamimidamidobenzoic acid;
Nafamostat, bound form
ChEMBLCHEMBL20767
DrugBankDB02459
ZINCZINC000000155851
PDB chain6zov Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6zov Targeting Enteropeptidase with Reversible Covalent Inhibitors To Achieve Metabolic Benefits.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		D181 S182 Q184 S187 F207 G208 E210 C211
Binding residue
(residue number reindexed from 1)		D181 S182 Q184 S187 F207 G208 E210 C211
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H41 D92 Q184 G185 D186 S187 G188
Catalytic site (residue number reindexed from 1) H41 D92 Q184 G185 D186 S187 G188
Enzyme Commision number 3.4.21.9: enteropeptidase.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:6zov, PDBe:6zov, PDBj:6zov
PDBsum6zov
PubMed33033171
UniProtP98073|ENTK_HUMAN Enteropeptidase (Gene Name=TMPRSS15)

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