2.100 Å
X-ray
2006-09-15
Name: | DNA polymerase III subunit epsilon |
---|---|
ID: | DPO3E_ECOLI |
AC: | P03007 |
Organism: | Escherichia coli |
Reign: | Bacteria |
TaxID: | 83333 |
EC Number: | 2.7.7.7 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 4 % |
C | 96 % |
B-Factor: | 24.285 |
---|---|
Number of residues: | 30 |
Including | |
Standard Amino Acids: | 24 |
Non Standard Amino Acids: | 2 |
Water Molecules: | 4 |
Cofactors: | |
Metals: | MN MN |
Ligandability | Volume (Å3) |
---|---|
0.523 | 556.875 |
% Hydrophobic | % Polar |
---|---|
45.45 | 54.55 |
According to VolSite |
HET Code: | TMP |
---|---|
Formula: | C10H13N2O8P |
Molecular weight: | 320.193 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 53.89 % |
Polar Surface area: | 161.1 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 8 |
H-Bond Donors: | 2 |
Rings: | 2 |
Aromatic rings: | 0 |
Anionic atoms: | 2 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 4 |
X | Y | Z |
---|---|---|
19.2027 | 56.5053 | 8.85524 |
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 |
O3' | OE1 | GLU- 14 | 2.72 | 171.52 | H-Bond (Ligand Donor) |
O3' | N | THR- 15 | 2.88 | 159.55 | H-Bond (Protein Donor) |
C1' | SD | MET- 18 | 4.33 | 0 | Hydrophobic |
N3 | OE2 | GLU- 61 | 2.95 | 155.38 | H-Bond (Ligand Donor) |
C2' | CB | ALA- 62 | 4.01 | 0 | Hydrophobic |
C3' | CG1 | VAL- 65 | 4.23 | 0 | Hydrophobic |
C5M | CG2 | VAL- 65 | 4.31 | 0 | Hydrophobic |
C5' | CE2 | PHE- 102 | 3.88 | 0 | Hydrophobic |
C4' | CZ | PHE- 102 | 3.79 | 0 | Hydrophobic |
C1' | CZ | PHE- 102 | 4.18 | 0 | Hydrophobic |
O3P | MN | MN- 1003 | 1.98 | 0 | Metal Acceptor |
O1P | MN | MN- 1004 | 2.37 | 0 | Metal Acceptor |
O3P | MN | MN- 1004 | 2.35 | 0 | Metal Acceptor |