2.300 Å
X-ray
2009-05-20
Name: | Uncharacterized protein |
---|---|
ID: | Q4GZ86_TRYB2 |
AC: | Q4GZ86 |
Organism: | Trypanosoma brucei brucei |
Reign: | Eukaryota |
TaxID: | 185431 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 24.766 |
---|---|
Number of residues: | 42 |
Including | |
Standard Amino Acids: | 38 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 3 |
Cofactors: | |
Metals: | MG |
Ligandability | Volume (Å3) |
---|---|
0.736 | 1751.625 |
% Hydrophobic | % Polar |
---|---|
35.26 | 64.74 |
According to VolSite |
HET Code: | UTP |
---|---|
Formula: | C9H11N2O15P3 |
Molecular weight: | 480.109 g/mol |
DrugBank ID: | DB04005 |
Buried Surface Area: | 60.21 % |
Polar Surface area: | 299.67 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 15 |
H-Bond Donors: | 3 |
Rings: | 2 |
Aromatic rings: | 0 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
24.1588 | 35.9126 | 28.5512 |
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' | CE2 | PHE- 52 | 3.82 | 0 | Hydrophobic |
C1' | CE2 | PHE- 52 | 4.21 | 0 | Hydrophobic |
O1B | N | SER- 54 | 2.85 | 140.78 | H-Bond (Protein Donor) |
O3G | OG | SER- 54 | 3.32 | 122.9 | H-Bond (Protein Donor) |
O2G | OG | SER- 64 | 3.22 | 153.08 | H-Bond (Protein Donor) |
O2' | OD1 | ASN- 141 | 2.88 | 161.15 | H-Bond (Ligand Donor) |
O2 | ND2 | ASN- 141 | 3.19 | 159.41 | H-Bond (Protein Donor) |
O3B | NZ | LYS- 164 | 3.21 | 134.98 | H-Bond (Protein Donor) |
O2G | NZ | LYS- 164 | 2.99 | 151.57 | H-Bond (Protein Donor) |
O1G | NZ | LYS- 164 | 3.96 | 0 | Ionic (Protein Cationic) |
O2G | NZ | LYS- 164 | 2.99 | 0 | Ionic (Protein Cationic) |
O1G | NZ | LYS- 168 | 2.85 | 161.85 | H-Bond (Protein Donor) |
O1G | NZ | LYS- 168 | 2.85 | 0 | Ionic (Protein Cationic) |
O4 | ND2 | ASN- 181 | 2.82 | 137.46 | H-Bond (Protein Donor) |
O1G | OG | SER- 182 | 2.69 | 174.74 | H-Bond (Protein Donor) |
C2' | CD1 | PHE- 183 | 3.92 | 0 | Hydrophobic |
C3' | CB | PHE- 183 | 3.8 | 0 | Hydrophobic |
O1A | MG | MG- 402 | 2.08 | 0 | Metal Acceptor |
O1B | MG | MG- 402 | 2.16 | 0 | Metal Acceptor |
O3G | MG | MG- 402 | 2.1 | 0 | Metal Acceptor |
O2B | O | HOH- 408 | 2.87 | 152.75 | H-Bond (Protein Donor) |