2.000 Å
X-ray
2007-05-30
Name: | 12-oxophytodienoate reductase 1 |
---|---|
ID: | OPR1_ARATH |
AC: | Q8LAH7 |
Organism: | Arabidopsis thaliana |
Reign: | Eukaryota |
TaxID: | 3702 |
EC Number: | 1.3.1.42 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 20.731 |
---|---|
Number of residues: | 35 |
Including | |
Standard Amino Acids: | 33 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 2 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.383 | 634.500 |
% Hydrophobic | % Polar |
---|---|
35.64 | 64.36 |
According to VolSite |
HET Code: | FMN |
---|---|
Formula: | C17H19N4O9P |
Molecular weight: | 454.328 g/mol |
DrugBank ID: | DB03247 |
Buried Surface Area: | 59.02 % |
Polar Surface area: | 217.05 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 12 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 1 |
Anionic atoms: | 2 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 7 |
X | Y | Z |
---|---|---|
14.7334 | 46.2616 | 60.488 |
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 |
C2' | CB | ALA- 30 | 4.23 | 0 | Hydrophobic |
C4' | CB | ALA- 30 | 4.4 | 0 | Hydrophobic |
O2' | O | PRO- 31 | 3.1 | 175.41 | H-Bond (Ligand Donor) |
C2' | CD2 | LEU- 32 | 3.93 | 0 | Hydrophobic |
C9 | CD2 | LEU- 32 | 3.77 | 0 | Hydrophobic |
O4 | OG1 | THR- 33 | 2.7 | 162.57 | H-Bond (Protein Donor) |
O4 | N | THR- 33 | 3.35 | 121.08 | H-Bond (Protein Donor) |
N5 | N | THR- 33 | 2.76 | 164.13 | H-Bond (Protein Donor) |
C6 | CB | THR- 33 | 4.31 | 0 | Hydrophobic |
O4 | N | ALA- 64 | 3.13 | 150.89 | H-Bond (Protein Donor) |
O2 | NE2 | GLN- 106 | 2.8 | 168.38 | H-Bond (Protein Donor) |
N3 | OE1 | GLN- 106 | 2.82 | 159.69 | H-Bond (Ligand Donor) |
O2 | NH1 | ARG- 235 | 2.77 | 139.63 | H-Bond (Protein Donor) |
O2' | NH1 | ARG- 235 | 2.78 | 132.36 | H-Bond (Protein Donor) |
O2' | NH2 | ARG- 235 | 3.15 | 123.06 | H-Bond (Protein Donor) |
O4' | NH2 | ARG- 235 | 3.44 | 149.02 | H-Bond (Protein Donor) |
O1P | N | GLY- 305 | 3.1 | 127.34 | H-Bond (Protein Donor) |
O2P | N | GLY- 305 | 3.38 | 152.31 | H-Bond (Protein Donor) |
C8M | CG | ARG- 327 | 3.46 | 0 | Hydrophobic |
C7M | CD1 | LEU- 330 | 4.21 | 0 | Hydrophobic |
C7M | CB | PHE- 353 | 3.68 | 0 | Hydrophobic |
C7M | CZ | TYR- 354 | 3.25 | 0 | Hydrophobic |
O5' | O | HOH- 387 | 3.16 | 163.86 | H-Bond (Protein Donor) |