Structure of PDB 6zc7 Chain B Binding Site BS01

Receptor Information
>6zc7 Chain B (length=94) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSLNIITVTLNMEKYNFLGISIVGQSNERGDGGIYIGSIMKGGAVAADGR
IEPGDMLLQVNEINFENMSNDDAVRVLREIVHKPGPITLTVAKS
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 B Residue 401 [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)		F259 L260 G261 I262 M282 L319 R320 V323 H324
Binding residue
(residue number reindexed from 1)		F17 L18 G19 I20 M40 L77 R78 V81 H82
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]