Structure of PDB 6zbz Chain A Binding Site BS01

Receptor Information
>6zbz Chain A (length=90) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLNIITVTLNMEKYNFLGISIVGQSNDGGIYIGSIMKGGAVAADGRIEPG
DMLLQVNEINFENMSNDDAVRVLREIVHKPGPITLTVAKS
Ligand information
Ligand IDQE5
InChIInChI=1S/C15H14FNO4S/c1-9-3-5-12(7-10(9)2)22(20,21)17-14-6-4-11(16)8-13(14)15(18)19/h3-8,17H,1-2H3,(H,18,19)
InChIKeyFDKADOFRLAUJSY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1C)S(=O)(=O)Nc2ccc(cc2C(=O)O)F
CACTVS 3.385Cc1ccc(cc1C)[S](=O)(=O)Nc2ccc(F)cc2C(O)=O
FormulaC15 H14 F N O4 S
Name2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid
ChEMBL
DrugBank
ZINCZINC000033047675
PDB chain6zbz 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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PDB6zbz Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F259 L260 G261 I262 L319 R320 V323 H324
Binding residue
(residue number reindexed from 1)		F16 L17 G18 I19 L73 R74 V77 H78
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0016055 Wnt signaling pathway

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Biological Process
External links
PDB RCSB:6zbz, PDBe:6zbz, PDBj:6zbz
PDBsum6zbz
PubMed
UniProtQ92997|DVL3_HUMAN Segment polarity protein dishevelled homolog DVL-3 (Gene Name=DVL3)

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