Structure of PDB 8w6p Chain A Binding Site BS01

Receptor Information
>8w6p Chain A (length=412) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VGQFWHVTDLHLDPTYHITDDRTKVCASSKGANASNPGPFGDVLCDSPYQ
LILSAFDFIKNSGQEASFMIWTGDSPPHVPVPELSTGTVIKVITNMTMTV
QNLFPNLQVFPALGNHDYWPQDQLPIVTSKVYSAVADLWKPWLGEEAIST
LKKGGFYSQKVASNPGLRIISLNTNLYYGPNIMTLNKTDPANQFEWLENT
LNSSLWNKEKVYIIAHVPVGYLPYATDTPAIRQYYNEKLLDIFRRYSSVI
AGQFYGHTHRDSLMVLSDKNGNPLNSVFVAPAVTPVKGVLQKETNNPGVR
LFQYKPGDYTLLDMVQYYLNLTEANLKGESNWTLEYVLTQAYSVADLQPK
SLYALVQQFATKDSKQFLKYYHYYFVSYDSSATCDQHCKTLQVCAIMNLD
SMSYDDCLKQHL
Ligand information
Ligand IDFUC
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBLCHEMBL1232862
DrugBankDB04473
ZINCZINC000001532814
PDB chain8w6p Chain D Residue 2 [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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PDB8w6p SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		S236 N240
Binding residue
(residue number reindexed from 1)		S203 N207
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.-
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0004767 sphingomyelin phosphodiesterase activity
GO:0008081 phosphoric diester hydrolase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0006685 sphingomyelin catabolic process
GO:0008150 biological_process
GO:0009143 nucleoside triphosphate catabolic process
GO:0160049 negative regulation of cGAS/STING signaling pathway
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8w6p, PDBe:8w6p, PDBj:8w6p
PDBsum8w6p
PubMed37890481
UniProtP70158|ASM3A_MOUSE Cyclic GMP-AMP phosphodiesterase SMPDL3A (Gene Name=Smpdl3a)

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