2.500 Å
X-ray
2010-11-30
Name: | Beta-1 adrenergic receptor |
---|---|
ID: | ADRB1_MELGA |
AC: | P07700 |
Organism: | Meleagris gallopavo |
Reign: | Eukaryota |
TaxID: | 9103 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 63 % |
B | 37 % |
B-Factor: | 21.155 |
---|---|
Number of residues: | 36 |
Including | |
Standard Amino Acids: | 35 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.354 | 1549.125 |
% Hydrophobic | % Polar |
---|---|
67.54 | 32.46 |
According to VolSite |
HET Code: | Y01 |
---|---|
Formula: | C31H49O4 |
Molecular weight: | 485.718 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 55.75 % |
Polar Surface area: | 66.43 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 0 |
Rings: | 4 |
Aromatic rings: | 0 |
Anionic atoms: | 1 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 10 |
X | Y | Z |
---|---|---|
-5.43991 | -2.51586 | 14.2662 |
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 |
CAJ | CG | GLU- 130 | 4.49 | 0 | Hydrophobic |
CAC | CG | GLU- 130 | 3.81 | 0 | Hydrophobic |
CAC | CB | CYS- 133 | 3.67 | 0 | Hydrophobic |
CAU | CG2 | VAL- 134 | 4.33 | 0 | Hydrophobic |
CAQ | CD1 | ILE- 137 | 4.13 | 0 | Hydrophobic |
OAF | NE | ARG- 157 | 2.94 | 159.79 | H-Bond (Protein Donor) |
OAF | CZ | ARG- 157 | 3.94 | 0 | Ionic (Protein Cationic) |
CAL | CD | ARG- 157 | 3.94 | 0 | Hydrophobic |
CAM | CG1 | VAL- 160 | 3.86 | 0 | Hydrophobic |
CBC | CG1 | ILE- 161 | 3.45 | 0 | Hydrophobic |
CAS | CG2 | THR- 164 | 4.07 | 0 | Hydrophobic |
CAR | CB | THR- 164 | 4.31 | 0 | Hydrophobic |
CAT | CG2 | THR- 164 | 3.76 | 0 | Hydrophobic |
CAU | CG2 | VAL- 165 | 4.16 | 0 | Hydrophobic |
CAB | CG2 | ILE- 168 | 4.04 | 0 | Hydrophobic |
CAE | CD1 | ILE- 168 | 4.48 | 0 | Hydrophobic |
CAS | CD1 | ILE- 168 | 4.36 | 0 | Hydrophobic |
CAB | CG2 | VAL- 172 | 4.42 | 0 | Hydrophobic |
CAL | CB | ARG- 205 | 3.61 | 0 | Hydrophobic |
CAR | CB | ALA- 206 | 3.79 | 0 | Hydrophobic |
CAK | CG2 | ILE- 209 | 4.3 | 0 | Hydrophobic |
CAV | CD1 | ILE- 209 | 3.6 | 0 | Hydrophobic |
CAD | CG2 | ILE- 209 | 4.22 | 0 | Hydrophobic |
CAD | CB | ALA- 210 | 3.73 | 0 | Hydrophobic |
CAQ | CD1 | ILE- 213 | 3.74 | 0 | Hydrophobic |
CAE | CG2 | ILE- 213 | 4.45 | 0 | Hydrophobic |
CAK | CD1 | ILE- 213 | 4.38 | 0 | Hydrophobic |
CAB | CG2 | ILE- 214 | 4.11 | 0 | Hydrophobic |
CAB | CG1 | ILE- 214 | 4.24 | 0 | Hydrophobic |
CAN | CG1 | ILE- 214 | 4.1 | 0 | Hydrophobic |
CAA | CG2 | ILE- 218 | 3.83 | 0 | Hydrophobic |
CAN | CD1 | ILE- 218 | 4.41 | 0 | Hydrophobic |
CAJ | CG | PRO- 219 | 4.23 | 0 | Hydrophobic |
CAO | CD1 | ILE- 222 | 4.16 | 0 | Hydrophobic |
CAP | CD1 | ILE- 222 | 4.37 | 0 | Hydrophobic |