1.740 Å
X-ray
2012-06-14
Name: | Methionine aminopeptidase 1 |
---|---|
ID: | MAP11_HUMAN |
AC: | P53582 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 22.923 |
---|---|
Number of residues: | 38 |
Including | |
Standard Amino Acids: | 34 |
Non Standard Amino Acids: | 2 |
Water Molecules: | 2 |
Cofactors: | |
Metals: | MN MN |
Ligandability | Volume (Å3) |
---|---|
0.334 | 280.125 |
% Hydrophobic | % Polar |
---|---|
50.60 | 49.40 |
According to VolSite |
HET Code: | Y08 |
---|---|
Formula: | C22H38N2O6 |
Molecular weight: | 426.547 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 59.74 % |
Polar Surface area: | 119.33 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 6 |
H-Bond Donors: | 4 |
Rings: | 2 |
Aromatic rings: | 0 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 10 |
X | Y | Z |
---|---|---|
21.4649 | -4.36483 | 14.7594 |
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 |
C10 | CB | PRO- 192 | 3.96 | 0 | Hydrophobic |
C15 | CE2 | TYR- 195 | 4.18 | 0 | Hydrophobic |
C09 | CD2 | TYR- 195 | 3.66 | 0 | Hydrophobic |
C08 | CD1 | PHE- 198 | 4.16 | 0 | Hydrophobic |
C08 | SG | CYS- 203 | 3.52 | 0 | Hydrophobic |
C22 | SG | CYS- 211 | 3.99 | 0 | Hydrophobic |
O6 | NE2 | HIS- 212 | 2.85 | 147.73 | H-Bond (Protein Donor) |
C08 | CB | HIS- 212 | 4.39 | 0 | Hydrophobic |
C22 | CB | TYR- 300 | 3.73 | 0 | Hydrophobic |
N1 | O | CYS- 301 | 2.97 | 122.42 | H-Bond (Ligand Donor) |
C04 | CZ | PHE- 309 | 3.99 | 0 | Hydrophobic |
C10 | CE2 | PHE- 309 | 3.87 | 0 | Hydrophobic |
O2 | NE2 | HIS- 310 | 2.6 | 178.6 | H-Bond (Ligand Donor) |
C21 | CB | HIS- 310 | 3.98 | 0 | Hydrophobic |
C22 | SD | MET- 338 | 3.89 | 0 | Hydrophobic |
C08 | CZ3 | TRP- 353 | 3.99 | 0 | Hydrophobic |
C09 | CZ3 | TRP- 353 | 3.84 | 0 | Hydrophobic |
O2 | MN | MN- 501 | 2.31 | 0 | Metal Acceptor |
O3 | MN | MN- 501 | 2.25 | 0 | Metal Acceptor |
O1 | MN | MN- 502 | 2.14 | 0 | Metal Acceptor |
O3 | MN | MN- 502 | 2.29 | 0 | Metal Acceptor |
O1 | O | HOH- 735 | 2.68 | 154.22 | H-Bond (Ligand Donor) |