2.300 Å
X-ray
2004-04-19
Name: | Alanine racemase |
---|---|
ID: | Q65YW7_STRLA |
AC: | Q65YW7 |
Organism: | Streptomyces lavendulae subsp. lavendulae |
Reign: | Bacteria |
TaxID: | 58340 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 25 % |
B | 75 % |
B-Factor: | 25.439 |
---|---|
Number of residues: | 30 |
Including | |
Standard Amino Acids: | 27 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 2 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.266 | 735.750 |
% Hydrophobic | % Polar |
---|---|
43.58 | 56.42 |
According to VolSite |
HET Code: | DCS |
---|---|
Formula: | C11H15N3O7P |
Molecular weight: | 332.226 g/mol |
DrugBank ID: | DB02038 |
Buried Surface Area: | 78.75 % |
Polar Surface area: | 170.29 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 8 |
H-Bond Donors: | 3 |
Rings: | 2 |
Aromatic rings: | 1 |
Anionic atoms: | 2 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
12.6726 | 2.526 | -16.1134 |
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 |
N | OH | TYR- 270 | 3.3 | 126.11 | H-Bond (Ligand Donor) |
OG | N | MET- 318 | 3.07 | 157.45 | H-Bond (Protein Donor) |
C5A | CG2 | VAL- 1036 | 3.95 | 0 | Hydrophobic |
O2P | OH | TYR- 1042 | 2.53 | 142.78 | H-Bond (Protein Donor) |
C2A | CE2 | TRP- 1084 | 4.02 | 0 | Hydrophobic |
O3 | NH1 | ARG- 1136 | 3.49 | 135.11 | H-Bond (Protein Donor) |
C2A | CZ3 | TRP- 1166 | 3.64 | 0 | Hydrophobic |
C2A | CB | HIS- 1168 | 4.42 | 0 | Hydrophobic |
O1P | N | SER- 1209 | 3.11 | 138.59 | H-Bond (Protein Donor) |
N1 | NE | ARG- 1224 | 3.07 | 172.63 | H-Bond (Protein Donor) |
O1P | N | GLY- 1226 | 2.88 | 145.84 | H-Bond (Protein Donor) |
O2P | N | LEU- 1227 | 2.93 | 172.68 | H-Bond (Protein Donor) |
O3P | OH | TYR- 1361 | 2.59 | 163.3 | H-Bond (Protein Donor) |