Structure of PDB 5yc7 Chain U Binding Site BS01

Receptor Information
>5yc7 Chain U (length=246) 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
PLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTK
Ligand information
Ligand IDPZH
InChIInChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKeyXRNVSPDQTPVECU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Brc1ccc(cc1)CN
CACTVS 3.341NCc1ccc(Br)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CN)Br
FormulaC7 H8 Br N
Name1-(4-BROMOPHENYL)METHANAMINE;
4-BROMOBENZYLAMINE
ChEMBLCHEMBL138621
DrugBank
ZINCZINC000000404752
PDB chain5yc7 Chain U Residue 301 [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]
PDB5yc7 Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D189 S190 W215 G219
Binding residue
(residue number reindexed from 1)		D192 S193 W218 G221
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:5yc7, PDBe:5yc7, PDBj:5yc7
PDBsum5yc7
PubMed
UniProtP00749|UROK_HUMAN Urokinase-type plasminogen activator (Gene Name=PLAU)

[Back to BioLiP]