2.500 Å
X-ray
2015-01-06
Min | Mean | Median | Standard Deviation | Max | Count | |
---|---|---|---|---|---|---|
pChEMBL: | 7.930 | 9.050 | 9.400 | 0.650 | 9.460 | 4 |
Name: | Orexin receptor type 2 |
---|---|
ID: | OX2R_HUMAN |
AC: | O43614 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 0.000 |
---|---|
Number of residues: | 35 |
Including | |
Standard Amino Acids: | 35 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.164 | 1238.625 |
% Hydrophobic | % Polar |
---|---|
46.32 | 53.68 |
According to VolSite |
HET Code: | SUV |
---|---|
Formula: | C23H23ClN6O2 |
Molecular weight: | 450.921 g/mol |
DrugBank ID: | DB09034 |
Buried Surface Area: | 64.38 % |
Polar Surface area: | 80.29 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 0 |
Rings: | 5 |
Aromatic rings: | 4 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 3 |
X | Y | Z |
---|---|---|
52.4603 | 7.974 | 53.4356 |
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 |
CL1 | CB | ALA- 110 | 4.25 | 0 | Hydrophobic |
CL1 | CB | THR- 111 | 4.3 | 0 | Hydrophobic |
C6 | CB | THR- 111 | 4.47 | 0 | Hydrophobic |
C29 | CG2 | THR- 111 | 3.77 | 0 | Hydrophobic |
CL1 | CG2 | VAL- 114 | 3.63 | 0 | Hydrophobic |
CL1 | CZ3 | TRP- 120 | 3.51 | 0 | Hydrophobic |
C6 | CG2 | ILE- 130 | 3.65 | 0 | Hydrophobic |
C11 | CB | PRO- 131 | 4.39 | 0 | Hydrophobic |
C7 | CB | GLN- 134 | 3.85 | 0 | Hydrophobic |
C11 | CG | GLN- 134 | 4.26 | 0 | Hydrophobic |
C22 | CG | GLN- 134 | 4.05 | 0 | Hydrophobic |
C11 | CG2 | THR- 135 | 3.52 | 0 | Hydrophobic |
C30 | CE1 | PHE- 227 | 4.29 | 0 | Hydrophobic |
C20 | CG1 | ILE- 320 | 4.06 | 0 | Hydrophobic |
O2 | ND2 | ASN- 324 | 2.98 | 167.3 | H-Bond (Protein Donor) |
C29 | CB | HIS- 350 | 4.31 | 0 | Hydrophobic |
C21 | CG1 | VAL- 353 | 3.95 | 0 | Hydrophobic |
C29 | CE2 | TYR- 354 | 4.39 | 0 | Hydrophobic |