Structure of PDB 4mny Chain A Binding Site BS02

Receptor Information
>4mny 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
PEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGG
PLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHT
Ligand information
Ligand ID29O
InChIInChI=1S/C12H12Br3N3O3/c13-4-10(19)16-7-1-8(17-11(20)5-14)3-9(2-7)18-12(21)6-15/h1-3H,4-6H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyZGENBODMIMDNJM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385BrCC(=O)Nc1cc(NC(=O)CBr)cc(NC(=O)CBr)c1
ACDLabs 12.01O=C(Nc1cc(cc(c1)NC(=O)CBr)NC(=O)CBr)CBr
OpenEye OEToolkits 1.7.6c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr
FormulaC12 H12 Br3 N3 O3
NameN,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide)
ChEMBL
DrugBank
ZINCZINC000098208115
PDB chain4mny Chain C Residue 101 [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]
PDB4mny Peptide ligands stabilized by small molecules.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		K143 S146 T147 D148 Q192 C220
Binding residue
(residue number reindexed from 1)		K142 S145 T146 D147 Q195 C222
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 Q192 G193 D194 S195 G196
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4mny, PDBe:4mny, PDBj:4mny
PDBsum4mny
PubMed24453110
UniProtP00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)

[Back to BioLiP]