Structure of PDB 4cyd Chain C Binding Site BS02

Receptor Information
>4cyd Chain C (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 chain4cyd Chain C Residue 1228 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cyd The Crystal Structures of Apo and Camp-Bound Glxr from Corynebacterium Glutamicum Reveal Structural and Dynamic Changes Upon Camp Binding in Crp/Fnr Family Transcription Factors.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		F41 L60 F81 G82 E83 L84 S85 R92 T93 S94 R133
Binding residue
(residue number reindexed from 1)		F39 L58 F79 G80 E81 L82 S83 R90 T91 S92 R131
Annotation score4
Binding affinityMOAD: Kd=17uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4cyd, PDBe:4cyd, PDBj:4cyd
PDBsum4cyd
PubMed25469635
UniProtH7C677

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