2.200 Å
X-ray
2004-12-06
Name: | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase |
---|---|
ID: | MTNN_ECOLI |
AC: | P0AF12 |
Organism: | Escherichia coli |
Reign: | Bacteria |
TaxID: | 83333 |
EC Number: | 3.2.2.9 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 12 % |
B | 88 % |
B-Factor: | 21.469 |
---|---|
Number of residues: | 36 |
Including | |
Standard Amino Acids: | 34 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 2 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.685 | 280.125 |
% Hydrophobic | % Polar |
---|---|
66.27 | 33.73 |
According to VolSite |
HET Code: | MTM |
---|---|
Formula: | C12H22N5O2S |
Molecular weight: | 300.400 g/mol |
DrugBank ID: | DB02158 |
Buried Surface Area: | 83.7 % |
Polar Surface area: | 151.8 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 3 |
H-Bond Donors: | 7 |
Rings: | 3 |
Aromatic rings: | 1 |
Anionic atoms: | 0 |
Cationic atoms: | 3 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 3 |
X | Y | Z |
---|---|---|
45.6377 | 86.3535 | 41.9489 |
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 |
C3' | CG2 | ILE- 50 | 4.1 | 0 | Hydrophobic |
CS | CD1 | ILE- 50 | 3.91 | 0 | Hydrophobic |
N4' | OG | SER- 76 | 3.26 | 120.13 | H-Bond (Ligand Donor) |
S5' | CG1 | VAL- 102 | 4.35 | 0 | Hydrophobic |
CS | CE2 | PHE- 105 | 3.72 | 0 | Hydrophobic |
C5' | CD2 | PHE- 151 | 3.7 | 0 | Hydrophobic |
N6 | O | ILE- 152 | 3.15 | 141.1 | H-Bond (Ligand Donor) |
N1 | N | ILE- 152 | 2.88 | 171.96 | H-Bond (Protein Donor) |
C2' | CB | GLU- 172 | 3.88 | 0 | Hydrophobic |
C2' | CB | MET- 173 | 3.72 | 0 | Hydrophobic |
C3' | SD | MET- 173 | 3.78 | 0 | Hydrophobic |
S5' | SD | MET- 173 | 3.69 | 0 | Hydrophobic |
O2' | N | MET- 173 | 2.66 | 141.7 | H-Bond (Protein Donor) |
O2' | OE1 | GLU- 174 | 3.3 | 150.88 | H-Bond (Ligand Donor) |
O2' | OE2 | GLU- 174 | 2.72 | 136.72 | H-Bond (Ligand Donor) |
O3' | OE1 | GLU- 174 | 2.65 | 150.02 | H-Bond (Ligand Donor) |
O2' | NH1 | ARG- 193 | 3.38 | 121.59 | H-Bond (Protein Donor) |
N7 | OD2 | ASP- 197 | 2.68 | 152.44 | H-Bond (Ligand Donor) |
N6 | OD1 | ASP- 197 | 2.95 | 165.61 | H-Bond (Ligand Donor) |
CS | CE1 | PHE- 207 | 3.88 | 0 | Hydrophobic |
C5' | CZ | PHE- 207 | 4.07 | 0 | Hydrophobic |