2.700 Å
X-ray
2013-05-07
Name: | Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 |
---|---|
ID: | HCN4_HUMAN |
AC: | Q9Y3Q4 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 85 % |
C | 15 % |
B-Factor: | 42.332 |
---|---|
Number of residues: | 20 |
Including | |
Standard Amino Acids: | 19 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.799 | 1144.125 |
% Hydrophobic | % Polar |
---|---|
35.99 | 64.01 |
According to VolSite |
HET Code: | PCG |
---|---|
Formula: | C10H11N5O7P |
Molecular weight: | 344.197 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 50.57 % |
Polar Surface area: | 183.16 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 10 |
H-Bond Donors: | 3 |
Rings: | 4 |
Aromatic rings: | 1 |
Anionic atoms: | 1 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 1 |
X | Y | Z |
---|---|---|
33.2313 | -15.524 | -21.8859 |
Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand
Ligand | Protein | Interaction | |||
---|---|---|---|---|---|
Atom | Atom | Residue | Distance (Å) | Angle (°) | Type |
C3' | CE2 | PHE- 540 | 4.42 | 0 | Hydrophobic |
O2' | NE2 | HIS- 541 | 3.26 | 162.33 | H-Bond (Protein Donor) |
N2 | O | TYR- 559 | 2.96 | 132.36 | H-Bond (Ligand Donor) |
N1 | O | LYS- 562 | 2.6 | 162.4 | H-Bond (Ligand Donor) |
N2 | O | LYS- 562 | 3.08 | 131.88 | H-Bond (Ligand Donor) |
O6 | N | PHE- 564 | 2.88 | 133.99 | H-Bond (Protein Donor) |
O2' | OE1 | GLU- 566 | 2.79 | 171.92 | H-Bond (Ligand Donor) |
O2' | OE2 | GLU- 566 | 3.33 | 120.63 | H-Bond (Ligand Donor) |
C5' | CE2 | PHE- 613 | 3.58 | 0 | Hydrophobic |
C4' | CD2 | PHE- 613 | 4.32 | 0 | Hydrophobic |