2.000 Å
X-ray
2013-05-24
Name: | Reductase homolog |
---|---|
ID: | Q9ZGC1_STRCY |
AC: | Q9ZGC1 |
Organism: | Streptomyces cyanogenus |
Reign: | Bacteria |
TaxID: | 80860 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 29.913 |
---|---|
Number of residues: | 24 |
Including | |
Standard Amino Acids: | 23 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 0 |
Cofactors: | NAP |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.415 | 749.250 |
% Hydrophobic | % Polar |
---|---|
62.16 | 37.84 |
According to VolSite |
HET Code: | 1TJ |
---|---|
Formula: | C19H11O5 |
Molecular weight: | 319.288 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 62.06 % |
Polar Surface area: | 94.5 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 1 |
Rings: | 4 |
Aromatic rings: | 2 |
Anionic atoms: | 1 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 0 |
X | Y | Z |
---|---|---|
3.25125 | -11.076 | -10.7256 |
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 |
CAM | CE | MET- 101 | 4.43 | 0 | Hydrophobic |
CAK | SD | MET- 101 | 4.33 | 0 | Hydrophobic |
CAA | SD | MET- 103 | 3.64 | 0 | Hydrophobic |
OAF | N | GLY- 148 | 3.24 | 123.53 | H-Bond (Protein Donor) |
CAT | CD1 | LEU- 149 | 3.89 | 0 | Hydrophobic |
CAI | CD2 | LEU- 149 | 3.52 | 0 | Hydrophobic |
CAX | CG | LEU- 149 | 3.61 | 0 | Hydrophobic |
CAG | CG2 | VAL- 152 | 3.74 | 0 | Hydrophobic |
OAE | NE2 | GLN- 157 | 2.98 | 149.05 | H-Bond (Protein Donor) |
CAA | CG1 | VAL- 205 | 4.17 | 0 | Hydrophobic |
CAK | CD1 | LEU- 209 | 4.11 | 0 | Hydrophobic |
CAQ | CD2 | LEU- 209 | 3.74 | 0 | Hydrophobic |
CAS | CD2 | LEU- 209 | 3.66 | 0 | Hydrophobic |
CAG | CD2 | LEU- 212 | 3.96 | 0 | Hydrophobic |
CAI | CD1 | LEU- 212 | 3.63 | 0 | Hydrophobic |
CAH | CG2 | THR- 250 | 3.54 | 0 | Hydrophobic |