Structure of PDB 4ev0 Chain A Binding Site BS01
Receptor Information
>4ev0 Chain A (length=213) Species:
300852
(Thermus thermophilus HB8) [
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SPLFHGLAPEEVDLALSYFQRRLYPQGKPIFYQGDLGQALYLVASGKVRL
FRTHLGGQERTLALLGPGELFGEMSLLDEGERSASAVAVEDTELLALFRE
DYLALIRRLPLVAHNLAALLARRLREADLELDLLSFEEARNRVAYALLKL
LRQGLGPLFQIRHHELAALAGTSRETVSRVLHALAEEGVVRLGPGTVEVR
EAALLEEIAFGLA
Ligand information
Ligand ID
CMP
InChI
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey
IVOMOUWHDPKRLL-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N
ACDLabs 10.04
O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
Formula
C10 H12 N5 O6 P
Name
ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE;
CYCLIC AMP;
CAMP
ChEMBL
CHEMBL316966
DrugBank
DB02527
ZINC
ZINC000003873977
PDB chain
4ev0 Chain A Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
4ev0
Crystal Structure of T. thermophilius Catabolite Activator Protein
Resolution
2.402 Å
Binding residue
(original residue number in PDB)
F34 L53 L65 F74 G75 E76 M77 S78 R85 S86 A87 R126
Binding residue
(residue number reindexed from 1)
F31 L50 L62 F71 G72 E73 M74 S75 R82 S83 A84 R123
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0000166
nucleotide binding
GO:0000976
transcription cis-regulatory region binding
GO:0003677
DNA binding
GO:0003700
DNA-binding transcription factor activity
GO:0030552
cAMP binding
GO:0042803
protein homodimerization activity
GO:0043565
sequence-specific DNA binding
Biological Process
GO:0006355
regulation of DNA-templated transcription
GO:0010628
positive regulation of gene expression
GO:0045893
positive regulation of DNA-templated transcription
Cellular Component
GO:0005829
cytosol
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Molecular Function
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Cellular Component
External links
PDB
RCSB:4ev0
,
PDBe:4ev0
,
PDBj:4ev0
PDBsum
4ev0
PubMed
UniProt
Q5SID7
|CRP_THET8 Cyclic AMP receptor protein (Gene Name=TTHA1437)
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