Structure of PDB 7b7x Chain A Binding Site BS01

Receptor Information
>7b7x Chain A (length=353) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCD
SRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDV
WSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTG
VLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAP
TEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQW
LFDEAQLTVDNVHLPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHE
IIIRSHWTDVQVKGTSLPRALHCWDRSLHPLKGCPVHLVDSCPWPHCNPS
CPT
Ligand information
Ligand IDWKA
InChIInChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)
InChIKeyJJHRQXVBTBBRGJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1cccc2nonc12
OpenEye OEToolkits 2.0.7CC(=O)Nc1cccc2c1non2
ACDLabs 12.01n2c1c(NC(C)=O)cccc1no2
FormulaC8 H7 N3 O2
NameN-(2,1,3-benzoxadiazol-4-yl)acetamide
ChEMBL
DrugBank
ZINCZINC000000291833
PDB chain7b7x Chain A Residue 510 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7b7x Notum Fragment Screen
Resolution2.41 Å
Binding residue
(original residue number in PDB)		W128 A233 F268 P287 I291
Binding residue
(residue number reindexed from 1)		W41 A146 F181 P200 I204
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.98: [Wnt protein] O-palmitoleoyl-L-serine hydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:7b7x, PDBe:7b7x, PDBj:7b7x
PDBsum7b7x
PubMed
UniProtQ6P988|NOTUM_HUMAN Palmitoleoyl-protein carboxylesterase NOTUM (Gene Name=NOTUM)

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