1.750 Å
X-ray
2015-05-01
| Name: | Putative b-glycan phosphorylase |
|---|---|
| ID: | Q21MB1_SACD2 |
| AC: | Q21MB1 |
| Organism: | Saccharophagus degradans |
| Reign: | Bacteria |
| TaxID: | 203122 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 22.086 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 19 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.972 | 1603.125 |
| % Hydrophobic | % Polar |
|---|---|
| 40.63 | 59.37 |
| According to VolSite | |

| HET Code: | LGC |
|---|---|
| Formula: | C6H10O6 |
| Molecular weight: | 178.140 g/mol |
| DrugBank ID: | DB04564 |
| Buried Surface Area: | 63.04 % |
| Polar Surface area: | 107.22 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 4 |
| Rings: | 1 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| -66.7313 | 27.1627 | 3.56542 |
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 |
| O3 | NH2 | ARG- 349 | 2.97 | 159.84 | H-Bond (Protein Donor) |
| O2 | ND2 | ASN- 350 | 3 | 156.3 | H-Bond (Protein Donor) |
| O3 | OD1 | ASN- 350 | 2.69 | 137.31 | H-Bond (Ligand Donor) |
| O4 | O | TRP- 470 | 2.66 | 168.2 | H-Bond (Ligand Donor) |
| C5 | CZ2 | TRP- 470 | 4.23 | 0 | Hydrophobic |
| C6 | CH2 | TRP- 470 | 3.75 | 0 | Hydrophobic |
| O6 | N | ASP- 472 | 2.86 | 164.97 | H-Bond (Protein Donor) |
| C6 | CG | GLU- 619 | 3.86 | 0 | Hydrophobic |
| O6 | OE2 | GLU- 619 | 2.73 | 148.42 | H-Bond (Ligand Donor) |
| C6 | CE2 | TYR- 624 | 4.11 | 0 | Hydrophobic |