Structure of PDB 4txz Chain B Binding Site BS02

Receptor Information
>4txz Chain B (length=366) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TWNFHQYYTNRNDGLMGKLVLTDEEKNNLKALRKIIRLRTRDVFEEAKGI
AKAVKKSALTFEIIQEKVSTTQIKHLSDSEQREVAKLIYEMDDDARDEFL
GLTPRFWTQGSFQYDTLNRPFQPGQEMDIDDGTYMPMPIGHSLLILLVDA
SLKSLVAENHGWKFEAKQTCGRIKIEAEKTHIDVPMYAIPKDEFDSENVN
LALREGDRKWINSDPKIVEDWFNDSCIRIGKHLRKVCRFMKAWRDAQWDV
GGPSSISLMAATVNILDSVAHDASDLGETMKIIAKHLPSEFARGVESPDS
TDEKPLFPPSYKHGPREMDIMSKLERLPEILSSAESADSKSEALKKINMA
FGNRVTNSELIVLAKA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4txz 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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PDB4txz Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D132 D134
Binding residue
(residue number reindexed from 1)		D128 D130
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
GO:0052621 diguanylate cyclase activity
GO:0140701 3',3'-cyclic GMP-AMP synthase activity
Biological Process
GO:0009117 nucleotide metabolic process
GO:0009190 cyclic nucleotide biosynthetic process
GO:0050922 negative regulation of chemotaxis
GO:0051607 defense response to virus
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4txz, PDBe:4txz, PDBj:4txz
PDBsum4txz
PubMed25131990
UniProtQ9KVG7|DNCV_VIBCH Cyclic GMP-AMP synthase (Gene Name=dncV)

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