1.930 Å
X-ray
2003-05-27
Name: | Methionine--tRNA ligase |
---|---|
ID: | SYM_ECOLI |
AC: | P00959 |
Organism: | Escherichia coli |
Reign: | Bacteria |
TaxID: | 83333 |
EC Number: | 6.1.1.10 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 10.756 |
---|---|
Number of residues: | 37 |
Including | |
Standard Amino Acids: | 36 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.745 | 570.375 |
% Hydrophobic | % Polar |
---|---|
50.30 | 49.70 |
According to VolSite |
HET Code: | MSP |
---|---|
Formula: | C15H27N7O7S2 |
Molecular weight: | 481.548 g/mol |
DrugBank ID: | DB02229 |
Buried Surface Area: | 73.04 % |
Polar Surface area: | 254.78 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 10 |
H-Bond Donors: | 6 |
Rings: | 3 |
Aromatic rings: | 0 |
Anionic atoms: | 1 |
Cationic atoms: | 3 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 9 |
X | Y | Z |
---|---|---|
15.0233 | 11.8871 | 25.0113 |
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 |
CB | CB | ALA- 12 | 4.11 | 0 | Hydrophobic |
SD | CB | ALA- 12 | 3.92 | 0 | Hydrophobic |
C4' | CB | ALA- 12 | 3.92 | 0 | Hydrophobic |
N2 | O | LEU- 13 | 2.65 | 172.5 | H-Bond (Ligand Donor) |
CE | CG | LEU- 13 | 4 | 0 | Hydrophobic |
CG | CB | LEU- 13 | 4.24 | 0 | Hydrophobic |
O1S | N | TYR- 15 | 3.15 | 161.72 | H-Bond (Protein Donor) |
O1S | NE2 | HIS- 24 | 3.42 | 128.52 | H-Bond (Protein Donor) |
O3' | OE1 | GLU- 27 | 2.73 | 164.52 | H-Bond (Ligand Donor) |
N2 | OD2 | ASP- 52 | 2.8 | 154.73 | H-Bond (Ligand Donor) |
N2 | OD2 | ASP- 52 | 2.8 | 0 | Ionic (Ligand Cationic) |
CG | CH2 | TRP- 253 | 3.54 | 0 | Hydrophobic |
SD | CZ3 | TRP- 253 | 4.08 | 0 | Hydrophobic |
CG | CB | ALA- 256 | 4.39 | 0 | Hydrophobic |
CE | CB | ALA- 256 | 3.81 | 0 | Hydrophobic |
CE | CB | PRO- 257 | 4.3 | 0 | Hydrophobic |
CE | CZ | TYR- 260 | 3.7 | 0 | Hydrophobic |
O3' | N | GLY- 294 | 3.03 | 145.45 | H-Bond (Protein Donor) |
O2' | OD1 | ASP- 296 | 2.57 | 156.35 | H-Bond (Ligand Donor) |
CB | CD1 | ILE- 297 | 4.1 | 0 | Hydrophobic |
SD | CD1 | ILE- 297 | 4.48 | 0 | Hydrophobic |
C3' | CD1 | ILE- 297 | 3.8 | 0 | Hydrophobic |
N1 | N | VAL- 326 | 2.86 | 164.86 | H-Bond (Protein Donor) |