Structure of PDB 6zyf Chain A Binding Site BS01

Receptor Information
>6zyf Chain A (length=352) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNREN
CDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSS
DVWSGASSKSEEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSAAGGTG
VLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAP
TEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQW
LFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACL
SHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHCPVHLVDSCPWPHCNPSC
PT
Ligand information
Ligand IDK4Q
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-6-7-11(14)15-9-10(12)8-13/h8,10H,2-7,9,12H2,1H3/t10-/m1/s1
InChIKeyCSUFCBOFZFUZNV-SNVBAGLBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC(=O)OC[CH](N)C=O
CACTVS 3.385CCCCCCCC(=O)OC[C@H](N)C=O
OpenEye OEToolkits 2.0.7CCCCCCCC(=O)OCC(C=O)N
OpenEye OEToolkits 2.0.7CCCCCCCC(=O)OC[C@@H](C=O)N
FormulaC11 H21 N O3
Name[(2~{S})-2-azanyl-3-oxidanylidene-propyl] octanoate
ChEMBL
DrugBank
ZINC
PDB chain6zyf Chain A Residue 502 [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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PDB6zyf Notum deacylates octanoylated ghrelin.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		G127 W128 Y129 A232 A233 F268 H389 E390
Binding residue
(residue number reindexed from 1)		G42 W43 Y44 A145 A146 F181 H302 E303
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:6zyf, PDBe:6zyf, PDBj:6zyf
PDBsum6zyf
PubMed33647468
UniProtQ6P988|NOTUM_HUMAN Palmitoleoyl-protein carboxylesterase NOTUM (Gene Name=NOTUM)

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