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
2012-03-27
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 8.400 | 8.400 | 8.400 | 0.000 | 8.400 | 1 |
| Name: | Hepatocyte growth factor receptor |
|---|---|
| ID: | MET_HUMAN |
| AC: | P08581 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.10.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 13.773 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.190 | 354.375 |
| % Hydrophobic | % Polar |
|---|---|
| 62.86 | 37.14 |
| According to VolSite | |
| HET Code: | 4K0 |
|---|---|
| Formula: | C19H12N8 |
| Molecular weight: | 352.352 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 68.39 % |
| Polar Surface area: | 108.44 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 1 |
| Rings: | 5 |
| Aromatic rings: | 5 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 20.0738 | 83.2461 | 4.96211 |
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 |
| C6 | CG1 | ILE- 1084 | 4.31 | 0 | Hydrophobic |
| C5 | CD1 | ILE- 1084 | 3.75 | 0 | Hydrophobic |
| C24 | CG2 | VAL- 1092 | 4.05 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 1092 | 3.83 | 0 | Hydrophobic |
| C1 | CB | ALA- 1108 | 3.8 | 0 | Hydrophobic |
| C24 | CD1 | LEU- 1157 | 3.84 | 0 | Hydrophobic |
| N27 | O | PRO- 1158 | 2.82 | 158.77 | H-Bond (Ligand Donor) |
| N3 | N | MET- 1160 | 2.98 | 157.46 | H-Bond (Protein Donor) |
| C17 | CB | ASP- 1164 | 3.66 | 0 | Hydrophobic |
| C16 | SD | MET- 1211 | 4.1 | 0 | Hydrophobic |
| C21 | CE | MET- 1211 | 4.35 | 0 | Hydrophobic |
| C6 | CE | MET- 1211 | 3.8 | 0 | Hydrophobic |
| N9 | N | ASP- 1222 | 2.96 | 142.04 | H-Bond (Protein Donor) |
| C24 | CZ | TYR- 1230 | 4.31 | 0 | Hydrophobic |
| C17 | CB | TYR- 1230 | 3.61 | 0 | Hydrophobic |
