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
2004-06-23
| Name: | Cytokinin dehydrogenase 1 |
|---|---|
| ID: | CKX1_MAIZE |
| AC: | Q9T0N8 |
| Organism: | Zea mays |
| Reign: | Eukaryota |
| TaxID: | 4577 |
| EC Number: | 1.5.99.12 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 11.963 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 2 |
| Cofactors: | FAD |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.423 | 698.625 |
| % Hydrophobic | % Polar |
|---|---|
| 60.87 | 39.13 |
| According to VolSite | |
| HET Code: | ZEA |
|---|---|
| Formula: | C10H13N5O |
| Molecular weight: | 219.243 g/mol |
| DrugBank ID: | DB11337 |
| Buried Surface Area: | 64.15 % |
| Polar Surface area: | 86.72 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 72.5624 | 34.6129 | 22.0318 |
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 |
| C11 | CB | ASP- 169 | 4.19 | 0 | Hydrophobic |
| N10 | OD2 | ASP- 169 | 2.78 | 155.87 | H-Bond (Ligand Donor) |
| C14 | CG1 | ILE- 184 | 4.24 | 0 | Hydrophobic |
| C15 | CZ3 | TRP- 397 | 3.64 | 0 | Hydrophobic |
| C11 | CD1 | ILE- 429 | 4.26 | 0 | Hydrophobic |
| O16 | OG | SER- 456 | 2.65 | 149.24 | H-Bond (Ligand Donor) |
| C14 | CB | SER- 456 | 4.36 | 0 | Hydrophobic |
| C15 | CD2 | LEU- 458 | 4.07 | 0 | Hydrophobic |
| C11 | CD1 | LEU- 458 | 3.44 | 0 | Hydrophobic |
| C14 | CE2 | TYR- 491 | 4.35 | 0 | Hydrophobic |
| C14 | CD1 | LEU- 492 | 4.34 | 0 | Hydrophobic |
| C15 | CD1 | LEU- 492 | 3.94 | 0 | Hydrophobic |
| C15 | C9A | FAD- 1535 | 3.87 | 0 | Hydrophobic |
| C11 | C6 | FAD- 1535 | 4.28 | 0 | Hydrophobic |
