Structure of PDB 3kid Chain U Binding Site BS01

Receptor Information
>3kid Chain U (length=238) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIGGEFTTIENQPWFAAIYRRVTYVCGGSLISPCWVISATHCFIDYPKKE
DYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSAAHHNDIALLKIRSKEG
RCAQPSRTIQTIALPSMYNDPQFGTSCEITGFGKEQSTDYLYPEQLKMTV
VKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQG
RMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTK
Ligand information
Ligand ID2BS
InChIInChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyVYJSGJXWKSDUSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CCOC(=O)c1ccc2nc(N)sc2c1
OpenEye OEToolkits 1.7.0CCOC(=O)c1ccc2c(c1)sc(n2)N
FormulaC10 H10 N2 O2 S
Nameethyl 2-amino-1,3-benzothiazole-6-carboxylate;
2-amino-benzothiazole-6-carboxylic acid ethyl ester
ChEMBLCHEMBL95874
DrugBank
ZINCZINC000000050705
PDB chain3kid Chain U Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kid Crystal Structures of 2-Aminobenzothiazole-based Inhibitors in Complexes with Urokinase-type Plasminogen Activator
Resolution2.71 Å
Binding residue
(original residue number in PDB)		S190 Q192 S195 V213 G219
Binding residue
(residue number reindexed from 1)		S185 Q187 S190 V208 G213
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.18,Ki=656uM
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:3kid, PDBe:3kid, PDBj:3kid
PDBsum3kid
PubMed
UniProtP00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)

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