sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Å
NMR
2000-02-27
| Name: | Gastrotropin |
|---|---|
| ID: | FABP6_PIG |
| AC: | P10289 |
| Organism: | Sus scrofa |
| Reign: | Eukaryota |
| TaxID: | 9823 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 0.000 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 35 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.530 | 1309.500 |
| % Hydrophobic | % Polar |
|---|---|
| 60.31 | 39.69 |
| According to VolSite | |
| HET Code: | GCH |
|---|---|
| Formula: | C26H42NO6 |
| Molecular weight: | 464.615 g/mol |
| DrugBank ID: | DB02691 |
| Buried Surface Area: | 60.59 % |
| Polar Surface area: | 129.92 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 4 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| -5.85415 | -0.715758 | -5.86697 |
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 |
| O4 | O | ARG- 20 | 2.69 | 164.04 | H-Bond (Ligand Donor) |
| C15 | CD1 | LEU- 21 | 4.4 | 0 | Hydrophobic |
| C16 | CD2 | LEU- 21 | 3.58 | 0 | Hydrophobic |
| C20 | CD2 | LEU- 21 | 3.82 | 0 | Hydrophobic |
| C | CE2 | TRP- 49 | 3.89 | 0 | Hydrophobic |
| C4 | CB | TRP- 49 | 4.31 | 0 | Hydrophobic |
| C7 | CG | GLN- 51 | 3.95 | 0 | Hydrophobic |
| C6 | CG2 | ILE- 59 | 3.78 | 0 | Hydrophobic |
| C6 | CB | ASN- 61 | 3.79 | 0 | Hydrophobic |
| C5 | CE2 | PHE- 63 | 4.18 | 0 | Hydrophobic |
| C12 | CG2 | ILE- 71 | 4.37 | 0 | Hydrophobic |
| C19 | CG2 | ILE- 71 | 4.01 | 0 | Hydrophobic |
| C23 | CG2 | ILE- 71 | 3.92 | 0 | Hydrophobic |
| C23 | CG1 | ILE- 74 | 3.78 | 0 | Hydrophobic |
| C15 | CG2 | ILE- 74 | 4.31 | 0 | Hydrophobic |
| O2 | NZ | LYS- 77 | 2.58 | 153.63 | H-Bond (Protein Donor) |
| C21 | CD2 | PHE- 79 | 3.8 | 0 | Hydrophobic |
| C5 | CG2 | VAL- 92 | 4.34 | 0 | Hydrophobic |
| C19 | CE2 | TYR- 97 | 4.43 | 0 | Hydrophobic |
| C20 | CD1 | TYR- 97 | 4.23 | 0 | Hydrophobic |
| C17 | CZ | TYR- 97 | 3.72 | 0 | Hydrophobic |
| O | OE2 | GLU- 110 | 2.61 | 152.39 | H-Bond (Ligand Donor) |
