Structure of PDB 2vii Chain A Binding Site BS01

Receptor Information
>2vii Chain A (length=247) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLLGEANSFLEVLEQVSHLAPLDKPVLIIGERGTGKELIASRLHYLSSRW
QGPFISLNCAALNENLLDSELFGHEAQKRHPGRFERADGGTLFLDELATA
PMMVQEKLLRVIEYGELERVGGSQPLQVNVRLVCATNADLPAMVNEGTFR
ADLLDRLAFDVVQLPPLRERESDIMLMAEYFAIQMCREIKLPLFPGFTER
ARETLLNYRWPGNIRELKNVVERSVYRHGTSDYPLDDIIIDPFKRRP
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain2vii Chain A Residue 260 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2vii Trapping of a Transcription Complex Using a New Nucleotide Analogue: AMP Aluminium Fluoride
Resolution2.85 Å
Binding residue
(original residue number in PDB)		N7 L8 L9 G39 T40 G41 K42 L44 M189 I226 R227
Binding residue
(residue number reindexed from 1)		N1 L2 L3 G33 T34 G35 K36 L38 M177 I214 R215
Annotation score4
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:2vii, PDBe:2vii, PDBj:2vii
PDBsum2vii
PubMed18082766
UniProtP37344|PSPF_ECOLI Psp operon transcriptional activator (Gene Name=pspF)

[Back to BioLiP]