Structure of PDB 6zc7 Chain A Binding Site BS02

Receptor Information
>6zc7 Chain A (length=92) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLNIITVTLNMEKYNFLGISIVGQSERGDGGIYIGSIMKGGAVAADGRIE
PGDMLLQVNEINFENMSNDDAVRVLREIVHKPGPITLTVAKS
Ligand information
Ligand IDV31
InChIInChI=1S/C14H12BrNO4S/c15-11-6-7-13(12(8-11)14(17)18)16-21(19,20)9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18)
InChIKeyRQMLGQUAXPPRSN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(Br)ccc1N[S](=O)(=O)Cc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)CS(=O)(=O)Nc2ccc(cc2C(=O)O)Br
FormulaC14 H12 Br N O4 S
Name5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid
ChEMBL
DrugBank
ZINC
PDB chain6zc7 Chain A Residue 402 [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]
PDB6zc7 Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Resolution1.48 Å
Binding residue
(original residue number in PDB)		I262 M282
Binding residue
(residue number reindexed from 1)		I19 M38
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0016055 Wnt signaling pathway

View graph for
Biological Process
External links
PDB RCSB:6zc7, PDBe:6zc7, PDBj:6zc7
PDBsum6zc7
PubMed
UniProtQ92997|DVL3_HUMAN Segment polarity protein dishevelled homolog DVL-3 (Gene Name=DVL3)

[Back to BioLiP]