Structure of PDB 3u11 Chain A Binding Site BS01
Receptor Information
>3u11 Chain A (length=198) Species:
9606
(Homo sapiens) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
DSSRRQYQEKYKQVEQYMSFHKLPPDTRQRIHDYYEHRYQGKMFDEESIL
GELSEPLREEIINFNCRKLVASMPLFANADPNFVTSMLTKLRFEVFQPGD
YIIREGTIGKKMYFIQHGVVSVLTKGNKETKLADGSYFGEICLLTRGRRT
ASVRADTYCRLYSLSVDNFNEVLEEYPMMRRAFETVALDRLDRIGKKN
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
3u11 Chain A Residue 846 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
3u11
Tetramerization dynamics of C-terminal domain underlies isoform-specific cAMP gating in hyperpolarization-activated cyclic nucleotide-gated channels.
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
V642 T650 F658 G659 E660 I661 C662 R669 T670 R710
Binding residue
(residue number reindexed from 1)
V122 T130 F138 G139 E140 I141 C142 R149 T150 R190
Annotation score
4
Binding affinity
Manual survey: Kd=39.2nM (22006928)
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:3u11
,
PDBe:3u11
,
PDBj:3u11
PDBsum
3u11
PubMed
22006928
UniProt
Q9Y3Q4
|HCN4_HUMAN Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 (Gene Name=HCN4)
[
Back to BioLiP
]