Structure of PDB 5khi Chain A Binding Site BS01

Receptor Information
>5khi Chain A (length=201) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSSRRQYQEKYKQVEQYMSFHKLPADFRQKIHDYYEHRYQGKMFDEDSIL
GELNGPLREEIVNFNCRKLVASMPLFANADPNFVTAMLTKLKFEVFQPGD
YIIREGTIGKKMYFIQHGVVSVLTKGNKEMKLSDGSYFGEICLLTRGRRT
ASVRADTYCRLYSLSVDNFNEVLEEYPMMRRAFETVAIDRLDRIGKKNSI
L
Ligand information
Ligand ID6SX
InChIInChI=1S/C10H11N4O6P/c15-7-8-6(2-18-21(16,17)20-8)19-10(7)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15H,2H2,(H,16,17)/t6-,7-,8-,10-/m1/s1
InChIKeyAVSJXTVPIHQRPY-FDDDBJFASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O
OpenEye OEToolkits 2.0.5c1c2c(ncn1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O
CACTVS 3.385O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4cncnc34
CACTVS 3.385O[C@@H]1[C@@H]2O[P](O)(=O)OC[C@H]2O[C@H]1n3cnc4cncnc34
FormulaC10 H11 N4 O6 P
NamePurine riboside-3',5'-cyclic monophosphate;
cPuMP
ChEMBL
DrugBank
ZINC
PDB chain5khi Chain A Residue 701 [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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PDB5khi Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V564 F580 G581 E582 I583 C584 R591 T592 R632
Binding residue
(residue number reindexed from 1)		V122 F138 G139 E140 I141 C142 R149 T150 R190
Annotation score1
Binding affinityMOAD: Kd=0.17uM
PDBbind-CN: -logKd/Ki=6.77,Kd=0.17uM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5khi, PDBe:5khi, PDBj:5khi
PDBsum5khi
PubMed27568927
UniProtO88703|HCN2_MOUSE Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 (Gene Name=Hcn2)

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