Structure of PDB 1fv9 Chain A Binding Site BS01

Receptor Information
>1fv9 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]
IIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLMSPCWVISATHCFID
YPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIAL
LKIRSKEGRCAQPSRTIQTIALPSMYNDPQFGTSCEITGFGKENSTDYLY
PEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGG
PLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHT
Ligand information
Ligand ID172
InChIInChI=1S/C7H7N3O/c8-7-9-5-2-1-4(11)3-6(5)10-7/h1-3,11H,(H3,8,9,10)
InChIKeyFNSYWIPPPFVBAV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Oc2ccc1c(nc(n1)N)c2
CACTVS 3.341Nc1[nH]c2ccc(O)cc2n1
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)nc([nH]2)N
FormulaC7 H7 N3 O
Name2-AMINO-5-HYDROXY-BENZIMIDAZOLE
ChEMBLCHEMBL126589
DrugBankDB03729
ZINCZINC000005117282
PDB chain1fv9 Chain A Residue 246 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fv9 Identification of novel inhibitors of urokinase via NMR-based screening.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		D191 S192 C193 G218 G220
Binding residue
(residue number reindexed from 1)		D192 S193 C194 G219 G221
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.00,IC50=10uM
Enzymatic activity
Catalytic site (original residue number in PDB) H45 D96 Q194 G195 D196 S197 G198
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:1fv9, PDBe:1fv9, PDBj:1fv9
PDBsum1fv9
PubMed11052791
UniProtP00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)

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