2.210 Å
X-ray
2007-08-10
Name: | Heat shock cognate 71 kDa protein |
---|---|
ID: | HSP7C_BOVIN |
AC: | P19120 |
Organism: | Bos taurus |
Reign: | Eukaryota |
TaxID: | 9913 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 43.803 |
---|---|
Number of residues: | 50 |
Including | |
Standard Amino Acids: | 46 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 4 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.613 | 1734.750 |
% Hydrophobic | % Polar |
---|---|
35.02 | 64.98 |
According to VolSite |
HET Code: | ANP |
---|---|
Formula: | C10H13N6O12P3 |
Molecular weight: | 502.164 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 69.37 % |
Polar Surface area: | 322.68 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 16 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
8.83503 | -0.275194 | -19.9297 |
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 |
O2B | N | THR- 14 | 2.79 | 151.12 | H-Bond (Protein Donor) |
O2B | OG1 | THR- 14 | 2.86 | 169.13 | H-Bond (Protein Donor) |
O2B | N | TYR- 15 | 3.05 | 149.74 | H-Bond (Protein Donor) |
C5' | CD1 | TYR- 15 | 3.67 | 0 | Hydrophobic |
C3' | CE1 | TYR- 15 | 4.32 | 0 | Hydrophobic |
O2' | OE2 | GLU- 268 | 3.03 | 157.97 | H-Bond (Ligand Donor) |
O3' | NZ | LYS- 271 | 3.3 | 138.12 | H-Bond (Protein Donor) |
O2' | NZ | LYS- 271 | 2.95 | 152.69 | H-Bond (Protein Donor) |
N1 | OG | SER- 275 | 2.73 | 156.4 | H-Bond (Protein Donor) |
O1A | N | GLY- 339 | 2.97 | 148.98 | H-Bond (Protein Donor) |
O5' | N | GLY- 339 | 3.14 | 142.14 | H-Bond (Protein Donor) |