2.230 Å
X-ray
2012-12-04
| Name: | L-lactate dehydrogenase A chain |
|---|---|
| ID: | LDHA_RABIT |
| AC: | P13491 |
| Organism: | Oryctolagus cuniculus |
| Reign: | Eukaryota |
| TaxID: | 9986 |
| EC Number: | 1.1.1.27 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 8 % |
| C | 92 % |
| B-Factor: | 32.371 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.142 | 668.250 |
| % Hydrophobic | % Polar |
|---|---|
| 37.37 | 62.63 |
| According to VolSite | |

| HET Code: | 6P3 |
|---|---|
| Formula: | C12H8NO2 |
| Molecular weight: | 198.197 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 54.25 % |
| Polar Surface area: | 53.02 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 0 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 30.528 | 32.118 | 42.6121 |
Image generated by PoseView
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 |
| C2 | CG2 | VAL- 30 | 3.54 | 0 | Hydrophobic |
| C5 | CB | THR- 94 | 4.35 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 135 | 3.86 | 0 | Hydrophobic |
| O22 | CZ | ARG- 168 | 3.44 | 0 | Ionic (Protein Cationic) |
| O22 | NH1 | ARG- 168 | 2.71 | 167.88 | H-Bond (Protein Donor) |
| O22 | NH2 | ARG- 168 | 3.3 | 131.29 | H-Bond (Protein Donor) |
| O23 | NH2 | ARG- 168 | 3.13 | 171.47 | H-Bond (Protein Donor) |
| O22 | OG1 | THR- 247 | 3.03 | 160.76 | H-Bond (Protein Donor) |
| C16 | CD1 | ILE- 251 | 4.42 | 0 | Hydrophobic |