Structure of PDB 4fu7 Chain A Binding Site BS01

Receptor Information
>4fu7 Chain A (length=246) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFID
YPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIAL
LKIRSKEGRCAQPSRTIQTIALPSMYNDPQFGTSCEITGFGKEQSTDYLY
PEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGG
PLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTK
Ligand information
Ligand ID1UP
InChIInChI=1S/C14H15N3O3/c1-19-11-5-4-8-2-3-9(14(16)17)6-10(8)13(11)20-7-12(15)18/h2-6H,7H2,1H3,(H2,15,18)(H3,16,17)
InChIKeyILLPJIZSGRJOPC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6[H]/N=C(/c1ccc2ccc(c(c2c1)OCC(=O)N)OC)\N
ACDLabs 12.01O=C(N)COc1c2c(ccc1OC)ccc(c2)C(=[N@H])N
OpenEye OEToolkits 1.7.6COc1ccc2ccc(cc2c1OCC(=O)N)C(=N)N
CACTVS 3.370COc1ccc2ccc(cc2c1OCC(N)=O)C(N)=N
FormulaC14 H15 N3 O3
Name2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide
ChEMBLCHEMBL540173
DrugBank
ZINCZINC000042989240
PDB chain4fu7 Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fu7 Crystal Structure of the Urokinase
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D192 S193 C194 Q195 S198 W218 G221 C222 G229
Binding residue
(residue number reindexed from 1)		D192 S193 C194 Q195 S198 W218 G221 C222 G229
Annotation score1
Binding affinityBindingDB: Ki=631nM
Enzymatic activity
Catalytic site (original residue number in PDB) H46 D97 Q195 G196 D197 S198 G199
Catalytic site (residue number reindexed from 1) H46 D97 Q195 G196 D197 S198 G199
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:4fu7, PDBe:4fu7, PDBj:4fu7
PDBsum4fu7
PubMed
UniProtP00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)

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