Structure of PDB 7d4j Chain A Binding Site BS01

Receptor Information
>7d4j Chain A (length=344) Species: 550 (Enterobacter cloacae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELQPQFNEFLANIRPTDTQKEDWKSGARTLRERLKNFEPLKEIVVSTFL
QGSIRRSTAIRPLGDKRPDVDIVVVTNLDHTRMSPTDAMDLFIPFLEKYY
PGKWETQGRSFGITLSYVELDLVITAIPESGAEKSHLEQLYKSESVLTVN
SLEEQTDWRLNKSWTPQVEDAPASEWKAHPLVLPDREKNEWGRTHPLAQI
RWTAEKNRLCNGHYINLVRAVKWWRQQNSEDLPKYPKGYPLEHLIGNALD
NGTTSMAQGLVQLMDTFLSRWAAIYNQKSKPWLSDHGVAEHDVMARLTAE
DFCSFYEGIASAAEIARNALASEEPQESAQLWRQLFGSKFPLPG
Ligand information
Ligand IDDDS
InChIInChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
InChIKeyOAKPWEUQDVLTCN-NKWVEPMBSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N
FormulaC10 H16 N5 O11 P3
Name2',3'-dideoxyadenosine triphosphate
ChEMBLCHEMBL1383
DrugBankDB02189
ZINCZINC000012501706
PDB chain7d4j Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7d4j Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		Q51 S53 D71 Q210 Y250
Binding residue
(residue number reindexed from 1)		Q51 S53 D71 Q199 Y239
Annotation score3
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
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:7d4j, PDBe:7d4j, PDBj:7d4j
PDBsum7d4j
PubMed33836064
UniProtP0DSP4|CDND2_ENTH5 Cyclic AMP-AMP-GMP synthase (Gene Name=cdnD02)

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