sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.750 Å
X-ray
2014-01-01
| Name: | Cytokinin dehydrogenase 4 |
|---|---|
| ID: | E3T1W8_MAIZE |
| AC: | E3T1W8 |
| Organism: | Zea mays |
| Reign: | Eukaryota |
| TaxID: | 4577 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 36.689 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 20 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 3 |
| Cofactors: | FAD |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.317 | 489.375 |
| % Hydrophobic | % Polar |
|---|---|
| 64.14 | 35.86 |
| According to VolSite | |
| HET Code: | 245 |
|---|---|
| Formula: | C12H10ClN3O |
| Molecular weight: | 247.680 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 60.76 % |
| Polar Surface area: | 54.02 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -23.9441 | -7.80912 | -14.8727 |
Image generated by PoseView
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 |
| N2 | OD2 | ASP- 170 | 2.72 | 167.37 | H-Bond (Ligand Donor) |
| N9 | OD2 | ASP- 170 | 3.19 | 139.46 | H-Bond (Ligand Donor) |
| C4 | CB | ASP- 170 | 4.06 | 0 | Hydrophobic |
| C14 | CG1 | ILE- 185 | 4.37 | 0 | Hydrophobic |
| CL7 | CG1 | VAL- 370 | 3.89 | 0 | Hydrophobic |
| C4 | CG2 | VAL- 370 | 3.73 | 0 | Hydrophobic |
| C8 | CG1 | VAL- 370 | 3.93 | 0 | Hydrophobic |
| CL7 | CZ3 | TRP- 383 | 4.39 | 0 | Hydrophobic |
| C13 | CB | ASN- 391 | 4.16 | 0 | Hydrophobic |
| C4 | CD1 | LEU- 423 | 4.31 | 0 | Hydrophobic |
| C15 | CD2 | LEU- 448 | 3.75 | 0 | Hydrophobic |
| C4 | CD1 | LEU- 452 | 4.35 | 0 | Hydrophobic |
| C8 | CD1 | LEU- 452 | 3.71 | 0 | Hydrophobic |
| C11 | CD2 | LEU- 452 | 3.73 | 0 | Hydrophobic |
| C13 | CD1 | LEU- 488 | 3.66 | 0 | Hydrophobic |
| C12 | C1' | FAD- 601 | 3.96 | 0 | Hydrophobic |
