2.620 Å
X-ray
2012-03-08
Name: | Putative glycosyl transferase |
---|---|
ID: | Q9RN61_STRNO |
AC: | Q9RN61 |
Organism: | Streptomyces nogalater |
Reign: | Bacteria |
TaxID: | 38314 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 31.781 |
---|---|
Number of residues: | 34 |
Including | |
Standard Amino Acids: | 34 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.583 | 1856.250 |
% Hydrophobic | % Polar |
---|---|
45.64 | 54.36 |
According to VolSite |
HET Code: | DUD |
---|---|
Formula: | C9H11N2O11P2 |
Molecular weight: | 385.138 g/mol |
DrugBank ID: | DB03413 |
Buried Surface Area: | 62.87 % |
Polar Surface area: | 220.27 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 11 |
H-Bond Donors: | 2 |
Rings: | 2 |
Aromatic rings: | 0 |
Anionic atoms: | 3 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
-40.1968 | 25.3375 | -21.1861 |
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 |
C4' | CD1 | LEU- 27 | 4.38 | 0 | Hydrophobic |
O3' | ND2 | ASN- 212 | 3.23 | 136.11 | H-Bond (Protein Donor) |
C1' | CB | ASN- 212 | 4.25 | 0 | Hydrophobic |
O1B | OG | SER- 236 | 3.44 | 161.87 | H-Bond (Protein Donor) |
N3 | O | ILE- 286 | 2.53 | 168.33 | H-Bond (Ligand Donor) |
O4 | N | ILE- 286 | 3.47 | 159.75 | H-Bond (Protein Donor) |
O2 | N | LEU- 288 | 2.79 | 132.04 | H-Bond (Protein Donor) |
C2' | CB | LEU- 288 | 3.81 | 0 | Hydrophobic |
O1A | NE2 | HIS- 301 | 3.08 | 125.46 | H-Bond (Protein Donor) |
O2B | NE2 | HIS- 301 | 3.16 | 158.57 | H-Bond (Protein Donor) |
O2A | N | GLY- 305 | 2.65 | 141.43 | H-Bond (Protein Donor) |
O5' | OG1 | THR- 306 | 3.35 | 126.45 | H-Bond (Protein Donor) |
O1A | OG1 | THR- 306 | 3.4 | 174.82 | H-Bond (Protein Donor) |