2.080 Å
X-ray
2002-01-10
Name: | Odorant-binding protein |
---|---|
ID: | OBP_BOVIN |
AC: | P07435 |
Organism: | Bos taurus |
Reign: | Eukaryota |
TaxID: | 9913 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 29.007 |
---|---|
Number of residues: | 24 |
Including | |
Standard Amino Acids: | 24 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.837 | 459.000 |
% Hydrophobic | % Polar |
---|---|
78.68 | 21.32 |
According to VolSite |
HET Code: | BZQ |
---|---|
Formula: | C13H10O |
Molecular weight: | 182.218 g/mol |
DrugBank ID: | DB01878 |
Buried Surface Area: | 66.46 % |
Polar Surface area: | 17.07 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 1 |
H-Bond Donors: | 0 |
Rings: | 2 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
-0.317 | -1.03264 | 6.48314 |
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 |
C10 | CD1 | ILE- 22 | 4.26 | 0 | Hydrophobic |
C11 | CG2 | ILE- 22 | 4.26 | 0 | Hydrophobic |
O | OG1 | THR- 38 | 2.82 | 147.99 | H-Bond (Protein Donor) |
C1 | CG2 | VAL- 69 | 4.34 | 0 | Hydrophobic |
C2 | CG1 | VAL- 69 | 4.17 | 0 | Hydrophobic |
C2 | CB | TYR- 83 | 3.95 | 0 | Hydrophobic |
C3 | CB | ASN- 87 | 4.39 | 0 | Hydrophobic |
C13 | CB | ALA- 101 | 4.04 | 0 | Hydrophobic |
C12 | CB | ASN- 103 | 3.94 | 0 | Hydrophobic |
C13 | CB | ASN- 103 | 3.65 | 0 | Hydrophobic |
C11 | CB | LEU- 115 | 3.75 | 0 | Hydrophobic |