3.000 Å
X-ray
2004-12-22
Name: | Nitric oxide reductase |
---|---|
ID: | FPRA_MOOTA |
AC: | Q9FDN7 |
Organism: | Moorella thermoacetica |
Reign: | Bacteria |
TaxID: | 264732 |
EC Number: | 1 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 24 % |
B | 76 % |
B-Factor: | 55.492 |
---|---|
Number of residues: | 39 |
Including | |
Standard Amino Acids: | 38 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.972 | 523.125 |
% Hydrophobic | % Polar |
---|---|
50.97 | 49.03 |
According to VolSite |
HET Code: | FMN |
---|---|
Formula: | C17H19N4O9P |
Molecular weight: | 454.328 g/mol |
DrugBank ID: | DB03247 |
Buried Surface Area: | 79.76 % |
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 |
---|---|---|
100.042 | 40.5964 | -161.949 |
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 |
C8M | CZ2 | TRP- 149 | 3.97 | 0 | Hydrophobic |
C1' | CZ2 | TRP- 149 | 4 | 0 | Hydrophobic |
C9 | CZ2 | TRP- 149 | 3.4 | 0 | Hydrophobic |
O1P | OG1 | THR- 261 | 2.89 | 151.33 | H-Bond (Protein Donor) |
O2P | OG1 | THR- 261 | 2.94 | 128.29 | H-Bond (Protein Donor) |
C9 | SD | MET- 262 | 4.5 | 0 | Hydrophobic |
C8M | CE | MET- 262 | 3.56 | 0 | Hydrophobic |
O2P | N | TRP- 263 | 2.85 | 159.65 | H-Bond (Protein Donor) |
O3P | N | TRP- 263 | 3.01 | 125.45 | H-Bond (Protein Donor) |
O3P | N | SER- 265 | 3.07 | 152.58 | H-Bond (Protein Donor) |
O1P | N | THR- 266 | 2.7 | 150.7 | H-Bond (Protein Donor) |
C5' | CB | PRO- 312 | 3.69 | 0 | Hydrophobic |
O2' | O | THR- 313 | 2.98 | 163.21 | H-Bond (Ligand Donor) |
C6 | CG2 | ILE- 314 | 3.72 | 0 | Hydrophobic |
N5 | N | ASN- 315 | 3.09 | 147.72 | H-Bond (Protein Donor) |
O4 | N | ASN- 316 | 2.79 | 149.1 | H-Bond (Protein Donor) |
C4' | CB | ALA- 344 | 3.92 | 0 | Hydrophobic |
N1 | N | GLY- 346 | 3.17 | 155.75 | H-Bond (Protein Donor) |
O2 | N | GLY- 346 | 3.31 | 138.74 | H-Bond (Protein Donor) |
O2 | N | TRP- 347 | 2.99 | 157.17 | H-Bond (Protein Donor) |
C1' | CZ3 | TRP- 347 | 4.17 | 0 | Hydrophobic |
O2 | N | GLY- 349 | 2.75 | 147.5 | H-Bond (Protein Donor) |
C1' | CZ3 | TRP- 376 | 4.24 | 0 | Hydrophobic |
C3' | CZ3 | TRP- 376 | 4.16 | 0 | Hydrophobic |