Structure of PDB 2o8w Chain A Binding Site BS01

Receptor Information
>2o8w Chain A (length=245) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFID
YPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIAL
LKIRSKEGRCAQPSRTIQTIALPSMYNDPQFGTSCEITGFGKEQSTDYLY
PEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDAGG
PLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHT
Ligand information
Ligand IDPL0
InChIInChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
InChIKeyQRJZGVVKGFIGLI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=N)Nc1ccccc1
ACDLabs 10.04[N@H]=C(Nc1ccccc1)N
OpenEye OEToolkits 1.5.0[H]N=C(N)Nc1ccccc1
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\Nc1ccccc1
FormulaC7 H9 N3
Name1-phenylguanidine
ChEMBLCHEMBL14047
DrugBank
ZINCZINC000004276940
PDB chain2o8w Chain A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2o8w Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors
Resolution1.86 Å
Binding residue
(original residue number in PDB)		D189 S190 C191 W215 G216 G219 G226
Binding residue
(residue number reindexed from 1)		D192 S193 C194 W218 G219 G221 G229
Annotation score1
Binding affinityBindingDB: IC50=20000nM,Ki=20600nM
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 Q192 G193 D194 A195 G196
Catalytic site (residue number reindexed from 1) H46 D97 Q195 G196 D197 A198 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2o8w, PDBe:2o8w, PDBj:2o8w
PDBsum2o8w
PubMed
UniProtP00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)

[Back to BioLiP]