Structure of PDB 7tqd Chain C Binding Site BS04

Receptor Information
>7tqd Chain C (length=357) Species: 550 (Enterobacter cloacae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELQPQFNEFLANIRPTDTQKEDWKSGARTLRERLKNFEPLKEIVVSTFLQ
GSIRRSTAIRPLGDKRPDVDIVVVTNLDHTRMSPTDAMDLFIPFLEKYYP
GKWETQGRSFGITLSYVELDLVITAIPESGAEKSHLEQLYKSESVLTVNS
LEEQTDWRLNKSWTPNTGWLSSAQVEDAPASEWKAHPLVLPDREKNEWGR
THPLAQIRWTAEKNRLCNGHYINLVRAVKWWRQQNSEDLPKYPKGYPLEH
LIGNALDNGTTSMAQGLVQLMDTFLSRWAAIYNQKSKPWLSDHGVAEHDV
MARLTAEDFCSFYEGIASAAEIARNALASEEPQESAQLWRQLFGSKFPLP
QKTGRFA
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7tqd Chain C Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7tqd An E1-E2 fusion protein primes antiviral immune signalling in bacteria.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		Q51 R109 L194 R197 R204 T205 R307
Binding residue
(residue number reindexed from 1)		Q50 R108 L190 R193 R200 T201 R303
Annotation score4
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:7tqd, PDBe:7tqd, PDBj:7tqd
PDBsum7tqd
PubMed36755092
UniProtP0DSP4|CDND2_ENTH5 Cyclic AMP-AMP-GMP synthase (Gene Name=cdnD02)

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