Structure of PDB 6mx3 Chain B Binding Site BS03

Receptor Information
>6mx3 Chain B (length=170) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVAHGLAWSYYIGYLRLILPELQARIRTYNQHYNNLLRGAVSQRLYILLP
LDCGVPDNLSMADPNIRFLDKLPQSNSIYELLENGQRAGTCVLEYATPLQ
TLFAMSQYSQAGFSREDRLEQAKLFCQTLEDILADAPESQNNCRLIAYQE
PADDSSFSLSQEVLRHLRQE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6mx3 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6mx3 Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
Resolution1.362 Å
Binding residue
(original residue number in PDB)		A318 D320
Binding residue
(residue number reindexed from 1)		A152 D154
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0002218 activation of innate immune response
GO:0032481 positive regulation of type I interferon production

View graph for
Biological Process
External links
PDB RCSB:6mx3, PDBe:6mx3, PDBj:6mx3
PDBsum6mx3
PubMed30655953
UniProtQ86WV6|STING_HUMAN Stimulator of interferon genes protein (Gene Name=STING1)

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