2.860 Å
X-ray
2004-12-02
Name: | Uncharacterized protein | 382aa long hypothetical sarcosine oxidase |
---|---|---|
ID: | O59088_PYRHO | O59089_PYRHO |
AC: | O59088 | O59089 |
Organism: | Pyrococcus horikoshii | |
Reign: | Archaea | |
TaxID: | 70601 | |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 33 % |
B | 67 % |
B-Factor: | 33.801 |
---|---|
Number of residues: | 37 |
Including | |
Standard Amino Acids: | 36 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.849 | 550.125 |
% Hydrophobic | % Polar |
---|---|
55.21 | 44.79 |
According to VolSite |
HET Code: | FMN |
---|---|
Formula: | C17H19N4O9P |
Molecular weight: | 454.328 g/mol |
DrugBank ID: | DB03247 |
Buried Surface Area: | 63.5 % |
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 |
---|---|---|
112.383 | 59.5292 | 24.5354 |
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 |
C5' | CG | ARG- 46 | 4.35 | 0 | Hydrophobic |
O1P | NH2 | ARG- 46 | 3.01 | 139.66 | H-Bond (Protein Donor) |
O1P | NH1 | ARG- 46 | 3.18 | 133.73 | H-Bond (Protein Donor) |
O1P | CZ | ARG- 46 | 3.51 | 0 | Ionic (Protein Cationic) |
C8 | CD1 | ILE- 261 | 4.12 | 0 | Hydrophobic |
C7 | CD1 | ILE- 261 | 3.7 | 0 | Hydrophobic |
O4' | NH2 | ARG- 302 | 3.2 | 151.91 | H-Bond (Protein Donor) |
C1' | CD | ARG- 302 | 4 | 0 | Hydrophobic |
C8M | CZ2 | TRP- 304 | 3.81 | 0 | Hydrophobic |
C1' | CE3 | TRP- 304 | 3.47 | 0 | Hydrophobic |
C3' | CD2 | TRP- 304 | 4.37 | 0 | Hydrophobic |
C5' | CB | TRP- 304 | 4.16 | 0 | Hydrophobic |
C9 | CZ2 | TRP- 304 | 3.29 | 0 | Hydrophobic |
O2' | NZ | LYS- 437 | 3.4 | 128.93 | H-Bond (Protein Donor) |
O3' | NH1 | ARG- 438 | 2.95 | 129.47 | H-Bond (Protein Donor) |
N3 | O | MET- 444 | 3.38 | 156.24 | H-Bond (Ligand Donor) |
O2 | NE2 | GLN- 448 | 3.26 | 176.65 | H-Bond (Protein Donor) |
O1P | NE | ARG- 477 | 3.48 | 167.28 | H-Bond (Protein Donor) |
O5' | O | HOH- 808 | 3.21 | 179.96 | H-Bond (Protein Donor) |