Structure of PDB 4u0m Chain A Binding Site BS03

Receptor Information
>4u0m Chain A (length=387) 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]
MTWNFHQYYTNRNDGLMGKLVLTDEEKNNLKALRKIIRLRTRDVFEEAKG
IAKAVKKSALTFEIIQEKVSTTQIKHLSDSEQREVAKLIYEMDDDARDEF
LGLTPRFWTQGSFQYDTLNRPFQPGQEMDIDDGTYMPMPIFESEPKIGHS
LLILLVDASLKSLVAENHGWKFEAKQTCGRIKIEAEKTHINVPMYAIPKD
EFQKKQIALEANRYELDSENVNLALREGDRKWINSDPKIVEDWFNDSCIR
IGKHLRKVCRFMKAWRDAQWDVGGPSSISLMAATVNILDSVAHDASDLGE
TMKIIAKHLPSEFARGVESPDSTDEKPLFPPSYKHGPREMDIMSKLERLP
EILSSAESADSKSEALKKINMAFGNRVTNSELIVLAK
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 chain4u0m Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4u0m Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D131 D133
Binding residue
(residue number reindexed from 1)		D129 D131
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:4u0m, PDBe:4u0m, PDBj:4u0m
PDBsum4u0m
PubMed25201413
UniProtQ9KVG7|DNCV_VIBCH Cyclic GMP-AMP synthase (Gene Name=dncV)

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