Structure of PDB 4fu8 Chain A Binding Site BS01

Receptor Information
>4fu8 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 ID2UP
InChIInChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
InChIKeyURXJHZXEUUFNKM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NC(=N)c1ccc2ccccc2c1
OpenEye OEToolkits 1.7.6c1ccc2cc(ccc2c1)C(=N)N
ACDLabs 12.01[N@H]=C(N)c2ccc1c(cccc1)c2
OpenEye OEToolkits 1.7.6[H]/N=C(\c1ccc2ccccc2c1)/N
FormulaC11 H10 N2
Namenaphthalene-2-carboximidamide
ChEMBLCHEMBL105171
DrugBank
ZINCZINC000001442764
PDB chain4fu8 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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PDB4fu8 Crystal Structure of the Urokinase
Resolution2.2 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=5910nM
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:4fu8, PDBe:4fu8, PDBj:4fu8
PDBsum4fu8
PubMed
UniProtP00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)

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