Structure of PDB 6e0n Chain A Binding Site BS02

Receptor Information
>6e0n Chain A (length=271) Species: 1216967 (Elizabethkingia meningoseptica ATCC 13253 = NBRC 12535) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFSEQQLINWSRPVSTTEDLKCQNAITQITAALRAKFGNRVTIFLQGSYR
NNTNVRQNSDVDIVMRYDDAFYPDLYNFDELKADTEEALRNVFTTSVERK
NKCIQVNGNSNRITADVIPCFVLKRFSTLQSVEAEGIKFYSDDNKEIISF
PEQHYSNGTEKTNQTYRLYKRMVRILKVVNYRLIDDGEIADNLVSSFFIE
CLVYNVPNNQFISGNYTQTLRNVIVKIYEDMKNNADYTEVNRLFWLFSNR
SPRTRQDALGFMQKCWNYLGY
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain6e0n Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6e0n Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Q47 G48 S49 D63 K197 S216 F217
Binding residue
(residue number reindexed from 1)		Q46 G47 S48 D62 K177 S196 F197
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.-
2.7.7.65: diguanylate cyclase.
2.7.7.85: diadenylate cyclase.
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:0106408 diadenylate cyclase activity
GO:0140701 3',3'-cyclic GMP-AMP synthase activity
Biological Process
GO:0009117 nucleotide metabolic process
GO:0051607 defense response to virus

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6e0n, PDBe:6e0n, PDBj:6e0n
PDBsum6e0n
PubMed30787435
UniProtA0A4V8GZR7

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