Structure of PDB 4ev0 Chain D Binding Site BS01

Receptor Information
>4ev0 Chain D (length=214) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSPLFHGLAPEEVDLALSYFQRRLYPQGKPIFYQGDLGQALYLVASGKVR
LFRTHLGGQERTLALLGPGELFGEMSLLDEGERSASAVAVEDTELLALFR
EDYLALIRRLPLVAHNLAALLARRLREADLELDLLSFEEARNRVAYALLK
LLRQGLGPLFQIRHHELAALAGTSRETVSRVLHALAEEGVVRLGPGTVEV
REAALLEEIAFGLA
Ligand information
Ligand IDCMP
InChIInChI=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
InChIKeyIVOMOUWHDPKRLL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N
ACDLabs 10.04O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
FormulaC10 H12 N5 O6 P
NameADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE;
CYCLIC AMP;
CAMP
ChEMBLCHEMBL316966
DrugBankDB02527
ZINCZINC000003873977
PDB chain4ev0 Chain D Residue 301 [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]
PDB4ev0 Crystal Structure of T. thermophilius Catabolite Activator Protein
Resolution2.402 Å
Binding residue
(original residue number in PDB)		F34 F74 G75 E76 M77 S78 R85 S86 A87
Binding residue
(residue number reindexed from 1)		F32 F72 G73 E74 M75 S76 R83 S84 A85
Annotation score4
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ev0, PDBe:4ev0, PDBj:4ev0
PDBsum4ev0
PubMed
UniProtQ5SID7|CRP_THET8 Cyclic AMP receptor protein (Gene Name=TTHA1437)

[Back to BioLiP]