1.400 Å
X-ray
2009-08-30
| Name: | Methionine aminopeptidase 2 |
|---|---|
| ID: | MAP12_MYCTU |
| AC: | P9WK19 |
| Organism: | Mycobacterium tuberculosis |
| Reign: | Bacteria |
| TaxID: | 83332 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 7.862 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 21 |
| Non Standard Amino Acids: | 2 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | MN MN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.675 | 519.750 |
| % Hydrophobic | % Polar |
|---|---|
| 49.35 | 50.65 |
| According to VolSite | |

| HET Code: | FCD |
|---|---|
| Formula: | C11H6ClO3 |
| Molecular weight: | 221.617 g/mol |
| DrugBank ID: | DB02909 |
| Buried Surface Area: | 64.46 % |
| Polar Surface area: | 53.27 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 0 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -35.2806 | -29.7845 | -5.5202 |
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 |
| CL2 | CG2 | THR- 94 | 3.99 | 0 | Hydrophobic |
| CL2 | CD2 | TYR- 97 | 4.07 | 0 | Hydrophobic |
| C5 | CD2 | TYR- 97 | 3.47 | 0 | Hydrophobic |
| C4 | CD | LYS- 98 | 4.15 | 0 | Hydrophobic |
| CL2 | CG | PHE- 100 | 3.83 | 0 | Hydrophobic |
| CL2 | SG | CYS- 105 | 4.19 | 0 | Hydrophobic |
| OA | NE2 | HIS- 212 | 3.34 | 121.46 | H-Bond (Protein Donor) |
| OB | NE2 | HIS- 212 | 2.69 | 165.88 | H-Bond (Protein Donor) |
| C5 | CZ3 | TRP- 255 | 3.45 | 0 | Hydrophobic |
| OXT | MN | MN- 286 | 2.14 | 0 | Metal Acceptor |
| OB | MN | MN- 287 | 2.41 | 0 | Metal Acceptor |
| OXT | MN | MN- 287 | 2.22 | 0 | Metal Acceptor |