2.300 Å
X-ray
2010-08-05
Name: | Geranyl diphosphate synthase large subunit |
---|---|
ID: | Q9SBR3_MENPI |
AC: | Q9SBR3 |
Organism: | Mentha piperita |
Reign: | Eukaryota |
TaxID: | 34256 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
D | 100 % |
B-Factor: | 42.613 |
---|---|
Number of residues: | 27 |
Including | |
Standard Amino Acids: | 22 |
Non Standard Amino Acids: | 3 |
Water Molecules: | 2 |
Cofactors: | |
Metals: | MG MG |
Ligandability | Volume (Å3) |
---|---|
0.224 | 722.250 |
% Hydrophobic | % Polar |
---|---|
43.93 | 56.07 |
According to VolSite |
HET Code: | DST |
---|---|
Formula: | C5H11O6P2S |
Molecular weight: | 261.150 g/mol |
DrugBank ID: | DB02270 |
Buried Surface Area: | 67.27 % |
Polar Surface area: | 157.47 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 7 |
H-Bond Donors: | 0 |
Rings: | 0 |
Aromatic rings: | 0 |
Anionic atoms: | 3 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
-30.6907 | -13.6623 | 16.499 |
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 |
C14 | CB | SER- 79 | 3.38 | 0 | Hydrophobic |
C10 | CD2 | LEU- 80 | 4.24 | 0 | Hydrophobic |
O4 | NH1 | ARG- 94 | 3.07 | 150.55 | H-Bond (Protein Donor) |
O5 | NH2 | ARG- 94 | 3.06 | 170.71 | H-Bond (Protein Donor) |
O4 | CZ | ARG- 94 | 3.76 | 0 | Ionic (Protein Cationic) |
O5 | CZ | ARG- 94 | 3.97 | 0 | Ionic (Protein Cationic) |
C14 | CD2 | LEU- 152 | 3.97 | 0 | Hydrophobic |
O8 | NZ | LYS- 180 | 3.55 | 0 | Ionic (Protein Cationic) |
S9 | CD | LYS- 180 | 4.19 | 0 | Hydrophobic |
C13 | CG | LYS- 180 | 3.9 | 0 | Hydrophobic |
O6 | NZ | LYS- 235 | 3.36 | 131.48 | H-Bond (Protein Donor) |
O5 | NZ | LYS- 235 | 2.73 | 165.25 | H-Bond (Protein Donor) |
O6 | NZ | LYS- 235 | 3.36 | 0 | Ionic (Protein Cationic) |
O5 | NZ | LYS- 235 | 2.73 | 0 | Ionic (Protein Cationic) |
O7 | NZ | LYS- 245 | 3.76 | 0 | Ionic (Protein Cationic) |
O8 | MG | MG- 901 | 2.73 | 0 | Metal Acceptor |
O4 | MG | MG- 902 | 2.29 | 0 | Metal Acceptor |
O7 | MG | MG- 902 | 2.03 | 0 | Metal Acceptor |