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Structure of PDB 3etq Chain B Binding Site BS01

Receptor Information
>3etq Chain B (length=191) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSRRQYQEKYKQVEQYMSFHKLPADFRQKIHDYYEHRYQGKMFDEDSILG
ELNGPLREEIVNFNNRKLVASMPLFANADPNFVTAMLTKLKFEVFQPGDY
IIREGTIGKKMYFIQHGVVSVLTKNKEMKLSDGSYFGEISLLTRGRRTAS
VRADTYSRLYSLSVDNFNEVLEEYPMMRRAFETVAIDRLDR
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 chain3etq Chain B Residue 1 [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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PDB3etq Mapping the structure and conformational movements of proteins with transition metal ion FRET.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		V564 M572 F580 G581 E582 I583 S584 R591 T592 R632 R635
Binding residue
(residue number reindexed from 1)		V121 M128 F136 G137 E138 I139 S140 R147 T148 R188 R191
Annotation score1
Binding affinityManual survey: Kd=920+-240nM (19525958)
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3etq, PDBe:3etq, PDBj:3etq
PDBsum3etq
PubMed19525958
UniProtO88703|HCN2_MOUSE Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 (Gene Name=Hcn2)

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