1.450 Å
X-ray
2003-11-06
Name: | Camphor 5-monooxygenase |
---|---|
ID: | CPXA_PSEPU |
AC: | P00183 |
Organism: | Pseudomonas putida |
Reign: | Bacteria |
TaxID: | 303 |
EC Number: | 1.14.15.1 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 21.654 |
---|---|
Number of residues: | 34 |
Including | |
Standard Amino Acids: | 33 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.479 | 1420.875 |
% Hydrophobic | % Polar |
---|---|
58.19 | 41.81 |
According to VolSite |
HET Code: | DSO |
---|---|
Formula: | C31H45N3O3S |
Molecular weight: | 539.772 g/mol |
DrugBank ID: | DB03031 |
Buried Surface Area: | 55.89 % |
Polar Surface area: | 86.88 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 2 |
Rings: | 6 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 13 |
X | Y | Z |
---|---|---|
26.8952 | 32.5102 | 20.1253 |
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 |
C12 | CB | TYR- 19 | 4.36 | 0 | Hydrophobic |
C33 | CZ | TYR- 19 | 3.86 | 0 | Hydrophobic |
C10 | CZ | PHE- 77 | 4.21 | 0 | Hydrophobic |
C4 | CZ | PHE- 77 | 4.39 | 0 | Hydrophobic |
C28 | CE2 | PHE- 77 | 3.56 | 0 | Hydrophobic |
C32 | CB | ALA- 82 | 4.31 | 0 | Hydrophobic |
C4 | CZ | TYR- 86 | 4.37 | 0 | Hydrophobic |
C27 | CE2 | TYR- 86 | 4.41 | 0 | Hydrophobic |
O38 | OH | TYR- 86 | 2.65 | 133.67 | H-Bond (Protein Donor) |
C4 | CG2 | THR- 91 | 4.17 | 0 | Hydrophobic |
C20 | CB | PRO- 177 | 3.87 | 0 | Hydrophobic |
C19 | CB | PRO- 177 | 3.81 | 0 | Hydrophobic |
C27 | CE2 | PHE- 183 | 3.96 | 0 | Hydrophobic |
C31 | CD2 | PHE- 183 | 4.06 | 0 | Hydrophobic |
C30 | CE2 | PHE- 183 | 3.74 | 0 | Hydrophobic |
C4 | CD1 | LEU- 234 | 4.1 | 0 | Hydrophobic |
C7 | CD1 | LEU- 234 | 4.27 | 0 | Hydrophobic |
C6 | CG2 | THR- 242 | 3.75 | 0 | Hydrophobic |
C8 | CG1 | VAL- 285 | 3.72 | 0 | Hydrophobic |
C10 | CG2 | ILE- 385 | 3.99 | 0 | Hydrophobic |
C30 | CD1 | ILE- 385 | 3.73 | 0 | Hydrophobic |
C32 | CD1 | ILE- 385 | 3.3 | 0 | Hydrophobic |
C10 | CG2 | VAL- 386 | 3.99 | 0 | Hydrophobic |