Structure of PDB 4xj5 Chain A Binding Site BS01

Receptor Information
>4xj5 Chain A (length=367) 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]
RMTWNFHQYYTNRNDGLMGKLVLTDEEKNNLKALRKIIRLRTRDVFEEAK
GIAKAVKKSALTFEIIQEKVSTTQIKHLSDSEQREVAKLIYEMDDDARDE
FLGLTPRFWTQGSFQYDTLNRPFQPGQEMDIDDGTYMPMPIKIGHSLLIL
LVDASLKSLVAENHGWKFEAKQTCGRIKIEAEKTHIDVPMYAIPKGSENV
NLALREGDRKWINSDPKIVEDWFNDSCIRIGKHLRKVCRFMKAWRDAQWD
VGGPSSISLMAATVNILDSVAHDASDLGETMKIIAKHLPSEFARGVESPD
STDEKPLFPPSYKHGPREMDIMSKLERLPEILSSAESADSKSEALKKINM
AFGNRVTNSELIVLAKA
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 chain4xj5 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xj5 Structural Basis for the Catalytic Mechanism of DncV, Bacterial Homolog of Cyclic GMP-AMP Synthase
Resolution1.552 Å
Binding residue
(original residue number in PDB)		D131 D133
Binding residue
(residue number reindexed from 1)		D130 D132
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.-
Gene Ontology
Molecular Function
GO:0140701 3',3'-cyclic GMP-AMP synthase activity

View graph for
Molecular Function
External links
PDB RCSB:4xj5, PDBe:4xj5, PDBj:4xj5
PDBsum4xj5
PubMed25865248
UniProtQ9KVG7|DNCV_VIBCH Cyclic GMP-AMP synthase (Gene Name=dncV)

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