Structure of PDB 3r6s Chain B Binding Site BS01

Receptor Information
>3r6s Chain B (length=225) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVQEILSRAGIFQGVDPTAVNNLIQDMETVRFPRGATIFDEGEPGDRLYI
ITSGKVKLARHAPDGRENLLTIMGPSDMFGELSIFDPGPRTSSAVCVTEV
HAATMNSDMLRNWVADHPAIAEQLLRVLARRLRRTNASLADLIFTDVPGR
VAKTLLQLANRFGTQEAGALRVNHDLTQEEIAQLVGASRETVNKALATFA
HRGWIRLEGKSVLIVDTEHLARRAR
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 chain3r6s Chain B Residue 301 [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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PDB3r6s Crystal structure of GlxR transcription factor from Corynebacterium glutamicum with cAMP
Resolution2.38 Å
Binding residue
(original residue number in PDB)		F41 L72 F81 G82 E83 L84 S85 R92 T93 S94 R133 T137
Binding residue
(residue number reindexed from 1)		F39 L70 F79 G80 E81 L82 S83 R90 T91 S92 R131 T135
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0001216 DNA-binding transcription activator activity
GO:0001217 DNA-binding transcription repressor activity
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0016301 kinase activity
GO:0030552 cAMP binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0016310 phosphorylation
GO:0045892 negative regulation of DNA-templated transcription
GO:0045893 positive regulation of DNA-templated transcription
GO:2000874 regulation of glyoxylate cycle
Cellular Component
GO:0005829 cytosol
GO:0032993 protein-DNA complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3r6s, PDBe:3r6s, PDBj:3r6s
PDBsum3r6s
PubMed
UniProtQ79VI7|CRPL_CORGL CRP-like cAMP-activated global transcriptional regulator (Gene Name=glxR)

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