1.900 Å
X-ray
2007-06-14
Name: | A-type flavoprotein |
---|---|
ID: | Q86QZ1_GIAIN |
AC: | Q86QZ1 |
Organism: | Giardia intestinalis |
Reign: | Eukaryota |
TaxID: | 5741 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 18.052 |
---|---|
Number of residues: | 29 |
Including | |
Standard Amino Acids: | 28 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.699 | 273.375 |
% Hydrophobic | % Polar |
---|---|
61.73 | 38.27 |
According to VolSite |
HET Code: | FMN |
---|---|
Formula: | C17H19N4O9P |
Molecular weight: | 454.328 g/mol |
DrugBank ID: | DB03247 |
Buried Surface Area: | 69.68 % |
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 |
---|---|---|
-16.4362 | 6.45687 | 29.3648 |
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 |
O1P | OG | SER- 265 | 2.75 | 141.54 | H-Bond (Protein Donor) |
C8M | SD | MET- 266 | 4.1 | 0 | Hydrophobic |
C2' | CE | MET- 266 | 4.25 | 0 | Hydrophobic |
C5' | CE | MET- 266 | 4.38 | 0 | Hydrophobic |
C9 | CE | MET- 266 | 3.89 | 0 | Hydrophobic |
O2P | N | MET- 266 | 2.65 | 139.32 | H-Bond (Protein Donor) |
C8M | CE2 | TYR- 267 | 3.95 | 0 | Hydrophobic |
O2P | N | TYR- 267 | 2.57 | 169.11 | H-Bond (Protein Donor) |
O3P | N | TYR- 267 | 3.43 | 127.46 | H-Bond (Protein Donor) |
O3P | OG1 | THR- 269 | 2.92 | 175.8 | H-Bond (Protein Donor) |
O3P | N | THR- 269 | 2.92 | 158.46 | H-Bond (Protein Donor) |
O1P | OG1 | THR- 270 | 2.73 | 139.08 | H-Bond (Protein Donor) |
O1P | N | THR- 270 | 2.89 | 156.68 | H-Bond (Protein Donor) |
C5' | CB | PRO- 316 | 3.62 | 0 | Hydrophobic |
O2' | O | THR- 317 | 2.88 | 162.16 | H-Bond (Ligand Donor) |
C6 | CD1 | LEU- 318 | 3.35 | 0 | Hydrophobic |
N5 | N | ASN- 319 | 3.24 | 169.58 | H-Bond (Protein Donor) |
O4 | N | ASN- 320 | 2.83 | 139.72 | H-Bond (Protein Donor) |
C4' | CB | ALA- 349 | 3.64 | 0 | Hydrophobic |
N1 | N | GLY- 351 | 3.15 | 140.16 | H-Bond (Protein Donor) |
O2 | N | GLY- 351 | 3.18 | 142.86 | H-Bond (Protein Donor) |
O2 | N | TRP- 352 | 2.9 | 170.27 | H-Bond (Protein Donor) |
C1' | CZ3 | TRP- 352 | 3.92 | 0 | Hydrophobic |
O2 | N | SER- 353 | 2.79 | 169.25 | H-Bond (Protein Donor) |
C1' | CE1 | PHE- 382 | 4.32 | 0 | Hydrophobic |
C3' | CE1 | PHE- 382 | 3.84 | 0 | Hydrophobic |