Structure of PDB 2r2w Chain U Binding Site BS01

Receptor Information
>2r2w Chain U (length=247) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFID
YPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIAL
LKIRSKEGRCAQPSRTIQTISLPSMYNDPQFGTSCEITGFGKENSTDYLY
PEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGG
PLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKE
Ligand information
Ligand ID4PG
InChIInChI=1S/C15H15N3O/c16-15(17)18-13-8-6-11(7-9-13)10-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18)
InChIKeyMERNPSIIBFTCAI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(c1ccccc1)Cc2ccc(NC(=[N@H])N)cc2
CACTVS 3.341NC(=N)Nc1ccc(CC(=O)c2ccccc2)cc1
OpenEye OEToolkits 1.5.0[H]N=C(N)Nc1ccc(cc1)CC(=O)c2ccccc2
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\Nc1ccc(cc1)CC(=O)c2ccccc2
FormulaC15 H15 N3 O
Name1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
ChEMBL
DrugBankDB07122
ZINCZINC000016052491
PDB chain2r2w Chain U Residue 300 [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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PDB2r2w Geometry of GPPE binding to picrate and to the urokinase type plasminogen activator.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		H57 H99 D189 S190 Q192 S195 W215 G216 G219 G226
Binding residue
(residue number reindexed from 1)		H46 H94 D192 S193 Q195 S198 W218 G219 G221 G229
Annotation score1
Binding affinityMOAD: Ki=34uM
PDBbind-CN: -logKd/Ki=4.47,Ki=34uM
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:2r2w, PDBe:2r2w, PDBj:2r2w
PDBsum2r2w
PubMed17905583
UniProtP00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)

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