2.160 Å
X-ray
2012-06-25
Name: | Eukaryotic translation initiation factor 4E |
---|---|
ID: | IF4E_HUMAN |
AC: | P06730 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 67 % |
C | 33 % |
B-Factor: | 12.004 |
---|---|
Number of residues: | 29 |
Including | |
Standard Amino Acids: | 27 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 2 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.190 | 853.875 |
% Hydrophobic | % Polar |
---|---|
35.18 | 64.82 |
According to VolSite |
HET Code: | MGO |
---|---|
Formula: | C12H16N4O14P3 |
Molecular weight: | 533.195 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 49.15 % |
Polar Surface area: | 314.19 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 15 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 1 |
Anionic atoms: | 4 |
Cationic atoms: | 1 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
-16.3563 | 3.13718 | -24.7142 |
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 |
CAA | CZ2 | TRP- 56 | 3.37 | 0 | Hydrophobic |
DuAr | DuAr | TRP- 56 | 3.52 | 0 | Aromatic Face/Face |
CAA | CE2 | TRP- 102 | 3.99 | 0 | Hydrophobic |
C2' | CH2 | TRP- 102 | 3.85 | 0 | Hydrophobic |
OAC | N | TRP- 102 | 2.89 | 157.69 | H-Bond (Protein Donor) |
DuAr | DuAr | TRP- 102 | 3.9 | 0 | Aromatic Face/Face |
NAB | OE2 | GLU- 103 | 2.73 | 129.58 | H-Bond (Ligand Donor) |
NAP | OE1 | GLU- 103 | 2.69 | 174.75 | H-Bond (Ligand Donor) |
OAL | CZ | ARG- 157 | 3.48 | 0 | Ionic (Protein Cationic) |
OAE | CZ | ARG- 157 | 3.81 | 0 | Ionic (Protein Cationic) |
OAL | NH2 | ARG- 157 | 3.43 | 127.79 | H-Bond (Protein Donor) |
OAL | NE | ARG- 157 | 2.69 | 177.55 | H-Bond (Protein Donor) |
OAE | NH2 | ARG- 157 | 2.77 | 153.64 | H-Bond (Protein Donor) |
OAI | NZ | LYS- 159 | 3.66 | 0 | Ionic (Protein Cationic) |
OAF | NZ | LYS- 159 | 3.14 | 0 | Ionic (Protein Cationic) |
OAF | NZ | LYS- 159 | 3.14 | 133.32 | H-Bond (Protein Donor) |
OAD | NZ | LYS- 162 | 2.62 | 0 | Ionic (Protein Cationic) |
OAF | NZ | LYS- 162 | 2.58 | 0 | Ionic (Protein Cationic) |
OAF | NZ | LYS- 162 | 2.58 | 165.85 | H-Bond (Protein Donor) |
CAA | CH2 | TRP- 166 | 4.04 | 0 | Hydrophobic |
OAE | O | HOH- 2019 | 2.69 | 163.6 | H-Bond (Protein Donor) |
OAK | O | HOH- 2049 | 2.93 | 172.16 | H-Bond (Protein Donor) |