Structure of PDB 5fca Chain B Binding Site BS03

Receptor Information
>5fca Chain B (length=426) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKLVPLAPADRAPAVGQFWHVTDLHLDPTYHITDDRTKVCASSKGANASN
PGPFGDVLCDSPYQLILSAFDFIKNSGQEASFMIWTGDSPPHVPVPELST
GTVIKVITNMTMTVQNLFPNLQVFPALGNHDYWPQDQLPIVTSKVYSAVA
DLWKPWLGEEAISTLKKGGFYSQKVASNPGLRIISLNTNLYYGPNIMTLN
KTDPANQFEWLENTLNSSLWNKEKVYIIAHVPVGYLPYATDTPAIRQYYN
EKLLDIFRRYSSVIAGQFYGHTHRDSLMVLSDKNGNPLNSVFVAPAVTPV
KGVLQKETNNPGVRLFQYKPGDYTLLDMVQYYLNLTEANLKGESNWTLEY
VLTQAYSVADLQPKSLYALVQQFATKDSKQFLKYYHYYFVSYDSSATCDQ
HCKTLQVCAIMNLDSMSYDDCLKQHL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5fca Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fca Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
Resolution1.924 Å
Binding residue
(original residue number in PDB)		D107 N148 H249 H290
Binding residue
(residue number reindexed from 1)		D88 N129 H230 H271
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:5fca, PDBe:5fca, PDBj:5fca
PDBsum5fca
PubMed26792860
UniProtP70158|ASM3A_MOUSE Cyclic GMP-AMP phosphodiesterase SMPDL3A (Gene Name=Smpdl3a)

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