2.510 Å
X-ray
2007-06-08
Name: | UDP-N-acetylenolpyruvoylglucosamine reductase |
---|---|
ID: | MURB_ECOLI |
AC: | P08373 |
Organism: | Escherichia coli |
Reign: | Bacteria |
TaxID: | 83333 |
EC Number: | 1.3.1.98 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 20.011 |
---|---|
Number of residues: | 26 |
Including | |
Standard Amino Acids: | 23 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 2 |
Cofactors: | FAD |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.053 | 1140.750 |
% Hydrophobic | % Polar |
---|---|
41.72 | 58.28 |
According to VolSite |
HET Code: | 973 |
---|---|
Formula: | C21H12ClO3 |
Molecular weight: | 347.771 g/mol |
DrugBank ID: | DB07296 |
Buried Surface Area: | 53.62 % |
Polar Surface area: | 49.36 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 3 |
H-Bond Donors: | 0 |
Rings: | 4 |
Aromatic rings: | 3 |
Anionic atoms: | 1 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
4.97284 | -8.77568 | 10.6188 |
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 |
CL1 | CD2 | LEU- 218 | 4.25 | 0 | Hydrophobic |
C20 | CD2 | LEU- 218 | 3.5 | 0 | Hydrophobic |
C19 | CB | SER- 229 | 4.33 | 0 | Hydrophobic |
O3 | ND2 | ASN- 233 | 3.32 | 154.56 | H-Bond (Protein Donor) |
C6 | CB | PRO- 252 | 3.64 | 0 | Hydrophobic |
C6 | CE2 | TYR- 254 | 3.25 | 0 | Hydrophobic |
C2 | CD | LYS- 262 | 3.95 | 0 | Hydrophobic |
C1 | CB | ALA- 264 | 4.02 | 0 | Hydrophobic |
C20 | CG | GLN- 288 | 4.17 | 0 | Hydrophobic |
C21 | CD1 | LEU- 290 | 3.45 | 0 | Hydrophobic |
CL1 | CG2 | VAL- 291 | 3.92 | 0 | Hydrophobic |
C20 | CG2 | VAL- 291 | 3.54 | 0 | Hydrophobic |
CL1 | C6 | FAD- 402 | 3.43 | 0 | Hydrophobic |