sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.860 Å
X-ray
2009-12-22
| Name: | Macrophage migration inhibitory factor |
|---|---|
| ID: | MIF_HUMAN |
| AC: | P14174 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 5.3.2.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 74 % |
| C | 26 % |
| B-Factor: | 22.309 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 23 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.968 | 283.500 |
| % Hydrophobic | % Polar |
|---|---|
| 76.19 | 23.81 |
| According to VolSite | |
| HET Code: | 956 |
|---|---|
| Formula: | C20H18N4O2S |
| Molecular weight: | 378.448 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 65.27 % |
| Polar Surface area: | 95.89 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 0 |
| Rings: | 4 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 12.0225 | -0.206926 | 2.17422 |
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 |
| CAR | CD | PRO- 1 | 3.89 | 0 | Hydrophobic |
| CAL | CZ | TYR- 36 | 3.95 | 0 | Hydrophobic |
| CAR | CD2 | TYR- 36 | 3.52 | 0 | Hydrophobic |
| CAD | CB | TYR- 36 | 3.75 | 0 | Hydrophobic |
| DuAr | DuAr | TYR- 36 | 3.72 | 0 | Aromatic Face/Face |
| SAV | CB | HIS- 62 | 4.19 | 0 | Hydrophobic |
| OAT | N | ILE- 64 | 2.98 | 169.22 | H-Bond (Protein Donor) |
| SAV | CG1 | ILE- 64 | 3.94 | 0 | Hydrophobic |
| CAN | CE1 | TYR- 95 | 3.67 | 0 | Hydrophobic |
| SAV | CG | MET- 101 | 4.08 | 0 | Hydrophobic |
| SAV | CG2 | VAL- 106 | 3.86 | 0 | Hydrophobic |
| CAL | CH2 | TRP- 108 | 4.34 | 0 | Hydrophobic |
| CAB | CZ2 | TRP- 108 | 3.3 | 0 | Hydrophobic |
| CAN | CZ | PHE- 113 | 3.23 | 0 | Hydrophobic |
