2.600 Å
X-ray
2011-03-25
Name: | Septum site-determining protein MinD |
---|---|
ID: | MIND_ECOLI |
AC: | P0AEZ3 |
Organism: | Escherichia coli |
Reign: | Bacteria |
TaxID: | 83333 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 23 % |
B | 77 % |
B-Factor: | 22.302 |
---|---|
Number of residues: | 42 |
Including | |
Standard Amino Acids: | 39 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 3 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.125 | 853.875 |
% Hydrophobic | % Polar |
---|---|
30.43 | 69.57 |
According to VolSite |
HET Code: | ADP |
---|---|
Formula: | C10H12N5O10P2 |
Molecular weight: | 424.177 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 65.77 % |
Polar Surface area: | 260.7 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 14 |
H-Bond Donors: | 3 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 3 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
1.3523 | 8.64322 | -4.13122 |
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 |
O3B | NZ | LYS- 11 | 3.51 | 0 | Ionic (Protein Cationic) |
O3B | N | GLY- 13 | 3.23 | 128.88 | H-Bond (Protein Donor) |
O1B | N | VAL- 14 | 3.03 | 134.81 | H-Bond (Protein Donor) |
O1B | N | GLY- 15 | 3.11 | 161.68 | H-Bond (Protein Donor) |
O3A | N | GLY- 15 | 3.28 | 126.16 | H-Bond (Protein Donor) |
O1B | NZ | LYS- 16 | 2.97 | 151.47 | H-Bond (Protein Donor) |
O1B | N | LYS- 16 | 3.02 | 156.64 | H-Bond (Protein Donor) |
O1B | NZ | LYS- 16 | 2.97 | 0 | Ionic (Protein Cationic) |
O2B | OG1 | THR- 17 | 2.98 | 145.52 | H-Bond (Protein Donor) |
O2B | N | THR- 17 | 2.74 | 163.28 | H-Bond (Protein Donor) |
O2A | OG1 | THR- 18 | 2.88 | 167.33 | H-Bond (Protein Donor) |
O2A | N | THR- 18 | 2.99 | 164.49 | H-Bond (Protein Donor) |
C3' | CG | GLU- 146 | 4.41 | 0 | Hydrophobic |
N6 | O | PRO- 212 | 2.92 | 165.36 | H-Bond (Ligand Donor) |
N1 | N | ASP- 214 | 2.95 | 163.27 | H-Bond (Protein Donor) |
C2' | CG1 | VAL- 217 | 4.15 | 0 | Hydrophobic |
O3' | O | HOH- 283 | 2.54 | 157.74 | H-Bond (Ligand Donor) |
N6 | O | HOH- 306 | 3.32 | 156.68 | H-Bond (Ligand Donor) |