sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.600 Å
X-ray
2006-03-16
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 8.160 | 8.160 | 8.160 | 0.000 | 8.160 | 1 |
| Name: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform |
|---|---|
| ID: | PK3CG_HUMAN |
| AC: | P48736 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.1.153 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 58.312 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.641 | 691.875 |
| % Hydrophobic | % Polar |
|---|---|
| 52.68 | 47.32 |
| According to VolSite | |
| HET Code: | 093 |
|---|---|
| Formula: | C14H16ClN3O4S2 |
| Molecular weight: | 389.878 g/mol |
| DrugBank ID: | DB06836 |
| Buried Surface Area: | 66.47 % |
| Polar Surface area: | 141.54 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 3 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 45.1832 | 12.9672 | 31.4953 |
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 |
| CAT | CH2 | TRP- 812 | 3.41 | 0 | Hydrophobic |
| SAP | CD1 | ILE- 831 | 3.49 | 0 | Hydrophobic |
| CAG | CD1 | ILE- 831 | 3.28 | 0 | Hydrophobic |
| CAE | CG | TYR- 867 | 3.72 | 0 | Hydrophobic |
| CL | CD1 | ILE- 879 | 3.69 | 0 | Hydrophobic |
| CAB | CD1 | ILE- 879 | 3.86 | 0 | Hydrophobic |
| CAD | CG2 | ILE- 879 | 3.81 | 0 | Hydrophobic |
| CAT | CG2 | ILE- 881 | 4.23 | 0 | Hydrophobic |
| CAE | CG2 | VAL- 882 | 3.8 | 0 | Hydrophobic |
| NAK | N | VAL- 882 | 3.19 | 150.12 | H-Bond (Protein Donor) |
| NAR | O | VAL- 882 | 2.84 | 143.74 | H-Bond (Ligand Donor) |
| OAX | OD1 | ASN- 951 | 3.42 | 149.48 | H-Bond (Ligand Donor) |
| SAP | CE | MET- 953 | 4.02 | 0 | Hydrophobic |
| CAE | CE1 | PHE- 961 | 3.63 | 0 | Hydrophobic |
| CAC | CB | ILE- 963 | 3.74 | 0 | Hydrophobic |
| CAD | CG2 | ILE- 963 | 3.72 | 0 | Hydrophobic |
| CAE | CG2 | ILE- 963 | 3.97 | 0 | Hydrophobic |
| CAV | CD1 | ILE- 963 | 4.36 | 0 | Hydrophobic |
| CAF | CD1 | ILE- 963 | 4.03 | 0 | Hydrophobic |
| CAW | CB | ASP- 964 | 4.15 | 0 | Hydrophobic |
| CL | CB | ASP- 964 | 3.68 | 0 | Hydrophobic |
