2.200 Å
X-ray
2005-02-08
Name: | Uncharacterized protein |
---|---|
ID: | O59611_PYRHO |
AC: | O59611 |
Organism: | Pyrococcus horikoshii |
Reign: | Archaea |
TaxID: | 70601 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
C | 100 % |
B-Factor: | 46.709 |
---|---|
Number of residues: | 37 |
Including | |
Standard Amino Acids: | 36 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.201 | 378.000 |
% Hydrophobic | % Polar |
---|---|
42.86 | 57.14 |
According to VolSite |
HET Code: | SAH |
---|---|
Formula: | C14H20N6O5S |
Molecular weight: | 384.411 g/mol |
DrugBank ID: | DB01752 |
Buried Surface Area: | 78.8 % |
Polar Surface area: | 212.38 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 10 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 1 |
Cationic atoms: | 1 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 7 |
X | Y | Z |
---|---|---|
12.2121 | 7.14658 | 6.88219 |
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 |
CB | CZ | PHE- 18 | 4.11 | 0 | Hydrophobic |
C3' | CZ | PHE- 18 | 4.32 | 0 | Hydrophobic |
C2' | CB | LEU- 25 | 4.25 | 0 | Hydrophobic |
O2' | NE2 | GLN- 27 | 2.99 | 168.65 | H-Bond (Protein Donor) |
C3' | CG | GLN- 27 | 3.85 | 0 | Hydrophobic |
O | N | LEU- 63 | 3.27 | 175.62 | H-Bond (Protein Donor) |
O3' | OE1 | GLU- 79 | 2.96 | 175.35 | H-Bond (Ligand Donor) |
O2' | OE2 | GLU- 79 | 2.66 | 151.7 | H-Bond (Ligand Donor) |
O2' | OE1 | GLU- 79 | 3.42 | 134.66 | H-Bond (Ligand Donor) |
N3 | N | VAL- 80 | 3.48 | 146.06 | H-Bond (Protein Donor) |
N6 | OD2 | ASP- 105 | 2.91 | 148.56 | H-Bond (Ligand Donor) |
N1 | N | VAL- 106 | 3.1 | 148.87 | H-Bond (Protein Donor) |
CG | CB | ASN- 119 | 4.32 | 0 | Hydrophobic |