Structure of PDB 4fuh Chain A Binding Site BS01

Receptor Information
>4fuh 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 ID1U2
InChIInChI=1S/C18H16N4O/c19-17(20)14-7-6-13-11-16(9-8-12(13)10-14)22-18(23)21-15-4-2-1-3-5-15/h1-11H,(H3,19,20)(H2,21,22,23)
InChIKeyJSKAQIFORULOPI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6[H]/N=C(/c1ccc2cc(ccc2c1)NC(=O)Nc3ccccc3)\N
CACTVS 3.370NC(=N)c1ccc2cc(NC(=O)Nc3ccccc3)ccc2c1
OpenEye OEToolkits 1.7.6c1ccc(cc1)NC(=O)Nc2ccc3cc(ccc3c2)C(=N)N
ACDLabs 12.01O=C(Nc1ccccc1)Nc3cc2ccc(C(=[N@H])N)cc2cc3
FormulaC18 H16 N4 O
Name6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide
ChEMBLCHEMBL556663
DrugBank
ZINCZINC000043023346
PDB chain4fuh Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fuh Crystal Structure of the Urokinase
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D192 S193 Q195 W218 G221
Binding residue
(residue number reindexed from 1)		D192 S193 Q195 W218 G221
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:4fuh, PDBe:4fuh, PDBj:4fuh
PDBsum4fuh
PubMed
UniProtP00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)

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