Structure of PDB 4fud Chain A Binding Site BS01

Receptor Information
>4fud 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 ID6UP
InChIInChI=1S/C11H11N3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H3,13,14)
InChIKeyJXOUQPJAWDJHOP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2ccc(cc2c(c1)N)C(=N)N
CACTVS 3.370NC(=N)c1ccc2cccc(N)c2c1
ACDLabs 12.01[N@H]=C(c1cc2c(cc1)cccc2N)N
OpenEye OEToolkits 1.7.6[H]/N=C(\c1ccc2cccc(c2c1)N)/N
FormulaC11 H11 N3
Name8-aminonaphthalene-2-carboximidamide
ChEMBLCHEMBL319264
DrugBank
ZINC
PDB chain4fud Chain A 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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PDB4fud Crystal Structure of the Urokinase
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D192 S193 Q195 W218 G219 G221 C222 G229
Binding residue
(residue number reindexed from 1)		D192 S193 Q195 W218 G219 G221 C222 G229
Annotation score1
Binding affinityBindingDB: Ki=450nM
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:4fud, PDBe:4fud, PDBj:4fud
PDBsum4fud
PubMed
UniProtP00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)

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