Structure of PDB 6zc3 Chain B Binding Site BS01

Receptor Information
>6zc3 Chain B (length=93) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLNIITVTLNMEKYNFLGISIVGQSNERGDGGIYIGSIMKGGAVAADGRI
EPGDMLLQVNEINFENMSNDDAVRVLREIVHKPGPITLTVAKS
Ligand information
Ligand IDJOR
InChIInChI=1S/C8H8FNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKeyQDIQHFNTURTELA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)Nc1ccc(F)cc1C(O)=O
OpenEye OEToolkits 2.0.7CS(=O)(=O)Nc1ccc(cc1C(=O)O)F
FormulaC8 H8 F N O4 S
Name5-fluoranyl-2-(methylsulfonylamino)benzoic acid
ChEMBL
DrugBank
ZINCZINC000019516665
PDB chain6zc3 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zc3 Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Resolution1.67 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 L76 R77 V80 H81
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:6zc3, PDBe:6zc3, PDBj:6zc3
PDBsum6zc3
PubMed
UniProtQ92997|DVL3_HUMAN Segment polarity protein dishevelled homolog DVL-3 (Gene Name=DVL3)

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