Structure of PDB 7vm7 Chain U Binding Site BS01

Receptor Information
>7vm7 Chain U (length=245) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFID
YPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIAL
LKIRSKEGRCAQPSRTIQTIALPSMYNDPQFGTSCEITGFGKEQSTDYLY
PEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDAGG
PLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHT
Ligand information
Ligand ID7RF
InChIInChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
InChIKeyMQQNFDZXWVTQEH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)Oc2ccc3cc(ccc3c2)C(=N)N)NC(=N)N
OpenEye OEToolkits 2.0.7[H]/N=C(\c1ccc2cc(ccc2c1)OC(=O)c3ccc(cc3)N/C(=N/[H])/N)/N
CACTVS 3.385NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N
FormulaC19 H17 N5 O2
Name(6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate
ChEMBLCHEMBL273264
DrugBankDB12598
ZINCZINC000003874467
PDB chain7vm7 Chain U 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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PDB7vm7 Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		C42 H57 C58 D189 S190 Q192 G193 A195 W215 G216 G219 C220
Binding residue
(residue number reindexed from 1)		C31 H46 C47 D192 S193 Q195 G196 A198 W218 G219 G221 C222
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.73: u-plasminogen activator.
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:7vm7, PDBe:7vm7, PDBj:7vm7
PDBsum7vm7
PubMed36039386
UniProtP00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)

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