Structure of PDB 3u0z Chain A Binding Site BS01
Receptor Information
>3u0z Chain A (length=199) Species:
10090
(Mus musculus) [
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DSSRRQYQEKYKQVEQYMSFHKLPADMRQKIHDYYEHRYQGKIFDEENIL
SELNDPLREEIVNFNCRKLVATMPLFANADPNFVTAMLSKLRFEVFQPGD
YIIREGAVGKKMYFIQHGVAGVITKSSKEMKLTDGSYFGEICLLTKGRRT
ASVRADTYCRLYSLSVDNFNEVLEEYPMMRRAFETVAIDRLDRIGKKNS
Ligand information
Ligand ID
CMP
InChI
InChI=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
InChIKey
IVOMOUWHDPKRLL-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N
ACDLabs 10.04
O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
Formula
C10 H12 N5 O6 P
Name
ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE;
CYCLIC AMP;
CAMP
ChEMBL
CHEMBL316966
DrugBank
DB02527
ZINC
ZINC000003873977
PDB chain
3u0z Chain A Residue 646 [
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Receptor-Ligand Complex Structure
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PDB
3u0z
Tetramerization dynamics of C-terminal domain underlies isoform-specific cAMP gating in hyperpolarization-activated cyclic nucleotide-gated channels.
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
L521 F527 G528 E529 I530 C531 R538 T539 R579 R582
Binding residue
(residue number reindexed from 1)
L132 F138 G139 E140 I141 C142 R149 T150 R190 R193
Annotation score
1
Binding affinity
Manual survey: Kd=39.7nM (22006928)
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:3u0z
,
PDBe:3u0z
,
PDBj:3u0z
PDBsum
3u0z
PubMed
22006928
UniProt
O88704
|HCN1_MOUSE Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 (Gene Name=Hcn1)
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