sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.900 Å
X-ray
2014-01-05
| 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: | 30.672 |
|---|---|
| Number of residues: | 25 |
| Including | |
| Standard Amino Acids: | 20 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 4 |
| Cofactors: | FAD |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.508 | 938.250 |
| % Hydrophobic | % Polar |
|---|---|
| 55.04 | 44.96 |
| According to VolSite | |
| HET Code: | 245 |
|---|---|
| Formula: | C12H10ClN3O |
| Molecular weight: | 247.680 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 60.48 % |
| 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 |
|---|---|---|
| -36.2974 | -10.9066 | 36.4411 |
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 | 2.73 | 158.95 | H-Bond (Ligand Donor) |
| N9 | OD2 | ASP- 170 | 3.14 | 139.35 | H-Bond (Ligand Donor) |
| C4 | CB | ASP- 170 | 4.04 | 0 | Hydrophobic |
| C14 | CG1 | ILE- 185 | 4.39 | 0 | Hydrophobic |
| CL7 | CG1 | VAL- 370 | 3.82 | 0 | Hydrophobic |
| C4 | CG2 | VAL- 370 | 3.75 | 0 | Hydrophobic |
| C8 | CG1 | VAL- 370 | 4.02 | 0 | Hydrophobic |
| CL7 | CZ3 | TRP- 383 | 4.37 | 0 | Hydrophobic |
| CL7 | CH2 | TRP- 389 | 4.5 | 0 | Hydrophobic |
| C13 | CB | ASN- 391 | 4.26 | 0 | Hydrophobic |
| C4 | CD1 | LEU- 423 | 4.49 | 0 | Hydrophobic |
| C15 | CD2 | LEU- 448 | 3.77 | 0 | Hydrophobic |
| C8 | CD1 | LEU- 452 | 3.89 | 0 | Hydrophobic |
| C11 | CD2 | LEU- 452 | 3.74 | 0 | Hydrophobic |
| C13 | CD1 | LEU- 488 | 3.75 | 0 | Hydrophobic |
| C12 | C1' | FAD- 601 | 3.88 | 0 | Hydrophobic |
