1.700 Å
X-ray
2005-10-31
| Name: | Methionine aminopeptidase |
|---|---|
| ID: | MAP1_ECOLI |
| AC: | P0AE18 |
| Organism: | Escherichia coli |
| Reign: | Bacteria |
| TaxID: | 83333 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 13.848 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 2 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | MN MN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.642 | 462.375 |
| % Hydrophobic | % Polar |
|---|---|
| 46.72 | 53.28 |
| According to VolSite | |

| HET Code: | FC2 |
|---|---|
| Formula: | C11H5Cl2O3 |
| Molecular weight: | 256.062 g/mol |
| DrugBank ID: | DB07758 |
| Buried Surface Area: | 65.17 % |
| 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 |
|---|---|---|
| -3.021 | -1.0025 | 8.51931 |
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 |
| CL1 | CB | CYS- 59 | 4.23 | 0 | Hydrophobic |
| CL2 | CE2 | TYR- 62 | 4.32 | 0 | Hydrophobic |
| C4 | CB | HIS- 63 | 3.49 | 0 | Hydrophobic |
| C3 | CB | TYR- 65 | 4.35 | 0 | Hydrophobic |
| CL1 | CG | TYR- 65 | 3.5 | 0 | Hydrophobic |
| CL1 | SG | CYS- 70 | 3.97 | 0 | Hydrophobic |
| OA | NE2 | HIS- 178 | 3.34 | 123.17 | H-Bond (Protein Donor) |
| OB | NE2 | HIS- 178 | 2.74 | 156.21 | H-Bond (Protein Donor) |
| C3 | CZ3 | TRP- 221 | 3.43 | 0 | Hydrophobic |
| OXT | MN | MN- 901 | 2.1 | 0 | Metal Acceptor |
| OB | MN | MN- 902 | 2.24 | 0 | Metal Acceptor |
| OXT | MN | MN- 902 | 2.32 | 0 | Metal Acceptor |