1.390 Å
X-ray
2007-03-03
Name: | Prothrombin |
---|---|
ID: | THRB_HUMAN |
AC: | P00734 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 3.4.21.5 |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 17.281 |
---|---|
Number of residues: | 33 |
Including | |
Standard Amino Acids: | 32 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.755 | 567.000 |
% Hydrophobic | % Polar |
---|---|
44.64 | 55.36 |
According to VolSite |
HET Code: | 897 |
---|---|
Formula: | C26H39N4O3 |
Molecular weight: | 455.613 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 51.39 % |
Polar Surface area: | 84.81 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 3 |
Rings: | 2 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 11 |
X | Y | Z |
---|---|---|
4.04967 | 18.5681 | 47.4677 |
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 |
C20 | CB | HIS- 57 | 3.87 | 0 | Hydrophobic |
C20 | CZ3 | TRP- 60 | 3.65 | 0 | Hydrophobic |
C20 | CD2 | TYR- 60 | 3.67 | 0 | Hydrophobic |
C24 | CE1 | TYR- 60 | 4.45 | 0 | Hydrophobic |
C23 | CG | LEU- 99 | 4.47 | 0 | Hydrophobic |
C24 | CD2 | LEU- 99 | 3.71 | 0 | Hydrophobic |
C19 | CD1 | LEU- 99 | 3.85 | 0 | Hydrophobic |
C23 | CG2 | ILE- 174 | 4.19 | 0 | Hydrophobic |
N4 | OD2 | ASP- 189 | 2.84 | 165.87 | H-Bond (Ligand Donor) |
C13 | CB | ALA- 190 | 4.35 | 0 | Hydrophobic |
C13 | CG1 | VAL- 213 | 3.68 | 0 | Hydrophobic |
N3 | O | SER- 214 | 2.88 | 172.15 | H-Bond (Ligand Donor) |
C23 | CD2 | TRP- 215 | 3.63 | 0 | Hydrophobic |
C16 | CB | TRP- 215 | 3.67 | 0 | Hydrophobic |
O3 | N | GLY- 216 | 3.24 | 155.33 | H-Bond (Protein Donor) |