sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.800 Å
X-ray
2007-03-24
| 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: | 21.424 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | MN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.807 | 408.375 |
| % Hydrophobic | % Polar |
|---|---|
| 47.93 | 52.07 |
| According to VolSite | |
| HET Code: | YE6 |
|---|---|
| Formula: | C11H9ClN2O2 |
| Molecular weight: | 236.654 g/mol |
| DrugBank ID: | DB08757 |
| Buried Surface Area: | 70.19 % |
| Polar Surface area: | 68.25 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -2.94194 | -0.260188 | 8.57912 |
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 |
| CLAP | CB | CYS- 59 | 4.23 | 0 | Hydrophobic |
| CAH | CD2 | TYR- 62 | 3.25 | 0 | Hydrophobic |
| CAH | CD2 | TYR- 62 | 3.9 | 0 | Hydrophobic |
| CAI | CB | HIS- 63 | 3.86 | 0 | Hydrophobic |
| CLAP | CG | TYR- 65 | 3.64 | 0 | Hydrophobic |
| NAL | OD2 | ASP- 97 | 2.74 | 163.16 | H-Bond (Ligand Donor) |
| NAM | OD1 | ASP- 97 | 3.23 | 137.99 | H-Bond (Ligand Donor) |
| OAN | NE2 | HIS- 178 | 3.15 | 121.28 | H-Bond (Protein Donor) |
| OAO | NE2 | HIS- 178 | 2.97 | 154.42 | H-Bond (Protein Donor) |
| NAM | OE1 | GLU- 204 | 3.26 | 154.42 | H-Bond (Ligand Donor) |
| CAH | CZ3 | TRP- 221 | 3.35 | 0 | Hydrophobic |
| NAM | OE1 | GLU- 235 | 2.78 | 127.1 | H-Bond (Ligand Donor) |
| OAO | MN | MN- 263 | 2.3 | 0 | Metal Acceptor |
