Structure of PDB 1q3e Chain B Binding Site BS01

Receptor Information
>1q3e Chain B (length=189) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSSRRQYQEKYKQVEQYMSFHKLPADFRQKIHDYYEHRYQGKMFDEDSIL
GELNGPLREEIVNFNCRKLVASMPLFANADPNFVTAMLTKLKFEVFQPGD
YIIREGTIGKKMYFIQHGVVSVLTEMKLSDGSYFGEICLLTRGRRTASVR
ADTYCRLYSLSVDNFNEVLEEYPMMRRAFETVAIDRLDR
Ligand information
Ligand IDPCG
InChIInChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
InChIKeyZOOGRGPOEVQQDX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=C(NC2=O)N
ACDLabs 10.04O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
FormulaC10 H12 N5 O7 P
NameCYCLIC GUANOSINE MONOPHOSPHATE
ChEMBLCHEMBL395336
DrugBankDB02315
ZINCZINC000004095501
PDB chain1q3e Chain B Residue 402 [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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PDB1q3e Structural basis for modulation and agonist specificity of HCN pacemaker channels
Resolution1.9 Å
Binding residue
(original residue number in PDB)		V564 M572 F580 G581 E582 I583 C584 R591 T592 R632
Binding residue
(residue number reindexed from 1)		V122 M126 F134 G135 E136 I137 C138 R145 T146 R186
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1q3e, PDBe:1q3e, PDBj:1q3e
PDBsum1q3e
PubMed12968185
UniProtO88703|HCN2_MOUSE Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 (Gene Name=Hcn2)

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