Structure of PDB 7bdc Chain A Binding Site BS01

Receptor Information
>7bdc Chain A (length=341) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCD
SRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDV
WSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTG
VLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTEAIRRGIRYW
NGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDN
VHPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQV
KGTSLPRALHCWDRSLHPLKGCPVHLVDSCPWPHCNPSCPT
Ligand information
Ligand IDWNA
InChIInChI=1S/C10H13N5/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKeyCHQPGTNAKZDALZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccccc1CNc2nnnn2C
CACTVS 3.385Cn1nnnc1NCc2ccccc2C
ACDLabs 12.01c2(NCc1c(C)cccc1)nnnn2C
FormulaC10 H13 N5
Name1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine
ChEMBLCHEMBL1450237
DrugBank
ZINCZINC000000360580
PDB chain7bdc Chain A Residue 509 [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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PDB7bdc Structural Analysis and Development of Notum Fragment Screening Hits.
Resolution1.32 Å
Binding residue
(original residue number in PDB)		W128 Y129 A233 T236 F268 V346
Binding residue
(residue number reindexed from 1)		W41 Y42 A146 T149 F181 V248
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:7bdc, PDBe:7bdc, PDBj:7bdc
PDBsum7bdc
PubMed35731924
UniProtQ6P988|NOTUM_HUMAN Palmitoleoyl-protein carboxylesterase NOTUM (Gene Name=NOTUM)

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