Structure of PDB 6dy1 Chain A Binding Site BS01

Receptor Information
>6dy1 Chain A (length=95) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGPPLFNVSLDVAPELRWLPVLRHYDVELVRAAVAQVIGDRVPKWVLALI
EKGALKLERLLPPPFTAEIRGMCDFLNLSLADGLLVNLAYEYSAF
Ligand information
Ligand IDTON
InChIInChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3
InChIKeyLBCZOTMMGHGTPH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1
OpenEye OEToolkits 1.5.0CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO
ACDLabs 10.04O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCO
FormulaC18 H30 O3
Name2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL
ChEMBLCHEMBL1236356
DrugBank
ZINCZINC000002030966
PDB chain6dy1 Chain A Residue 205 [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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PDB6dy1 Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Resolution2.998 Å
Binding residue
(original residue number in PDB)		L89 E123 Y124
Binding residue
(residue number reindexed from 1)		L57 E91 Y92
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.23: ceramidase.
3.5.1.60: N-(long-chain-acyl)ethanolamine deacylase.
External links
PDB RCSB:6dy1, PDBe:6dy1, PDBj:6dy1
PDBsum6dy1
PubMed30301806
UniProtG1T7U7|NAAA_RABIT N-acylethanolamine-hydrolyzing acid amidase (Gene Name=NAAA)

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