Structure of PDB 6zc4 Chain A Binding Site BS01

Receptor Information
>6zc4 Chain A (length=88) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMSLNIITVTLNMEKYNFLGISIVGQGIYIGSIMKGGAVAADGRIEPGDM
LLQVNEINFENMSNDDAVRVLREIVHKPGPITLTVAKS
Ligand information
Ligand IDQEZ
InChIInChI=1S/C17H16BrNO4S/c18-13-6-8-16(15(10-13)17(20)21)19-24(22,23)14-7-5-11-3-1-2-4-12(11)9-14/h5-10,19H,1-4H2,(H,20,21)
InChIKeyPCBPZTPLEQENRQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc3CCCCc3c2
OpenEye OEToolkits 2.0.7c1cc2c(cc1S(=O)(=O)Nc3ccc(cc3C(=O)O)Br)CCCC2
FormulaC17 H16 Br N O4 S
Name5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid
ChEMBL
DrugBank
ZINC
PDB chain6zc4 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zc4 Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Resolution1.85 Å
Binding residue
(original residue number in PDB)		N258 F259 L260 G261 I262 I264 L319
Binding residue
(residue number reindexed from 1)		N17 F18 L19 G20 I21 I23 L71
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:6zc4, PDBe:6zc4, PDBj:6zc4
PDBsum6zc4
PubMed
UniProtQ92997|DVL3_HUMAN Segment polarity protein dishevelled homolog DVL-3 (Gene Name=DVL3)

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