Structure of PDB 7qv9 Chain c Binding Site BS01

Receptor Information
>7qv9 Chain c (length=256) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYKDNLLGEANSFLEVLEQVSHLAPLDKPVLIIGERGTGKELIASRLHYL
SSRWQGPFISLNCAALNENLLDSELFGHEAGAFTGAQKRHPGRFERADGG
TLFLDELATAPMMVQEKLLRVIEYGELERVGGSQPLQVNVRLVCATNADL
PAMVNEGTFRADLLDRLAFDVVQLPPLRERESDIMLMAEYFAIQMCREIK
LPLFPGFTERARETLLNYRWPGNIRELKNVVERSVYRHGTSDYPLDDIII
DPFKRR
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 chain7qv9 Chain c Residue 400 [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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PDB7qv9 Mechanisms of DNA opening revealed in AAA+ transcription complex structures.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		N7 L8 G39 K42 E43 L44 I226 R227
Binding residue
(residue number reindexed from 1)		N5 L6 G37 K40 E41 L42 I224 R225
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008134 transcription factor binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7qv9, PDBe:7qv9, PDBj:7qv9
PDBsum7qv9
PubMed36542713
UniProtP37344|PSPF_ECOLI Psp operon transcriptional activator (Gene Name=pspF)

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