1.700 Å
X-ray
2013-06-20
Name: | Peptidyl-prolyl cis-trans isomerase FKBP4 |
---|---|
ID: | FKBP4_HUMAN |
AC: | Q02790 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 5.2.1.8 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 19.876 |
---|---|
Number of residues: | 26 |
Including | |
Standard Amino Acids: | 26 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.682 | 256.500 |
% Hydrophobic | % Polar |
---|---|
53.95 | 46.05 |
According to VolSite |
HET Code: | I63 |
---|---|
Formula: | C32H40NO9 |
Molecular weight: | 582.661 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 45.57 % |
Polar Surface area: | 131.5 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 9 |
H-Bond Donors: | 0 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 1 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 15 |
X | Y | Z |
---|---|---|
18.823 | -13.6126 | 15.4215 |
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 |
C5 | CZ | TYR- 57 | 3.52 | 0 | Hydrophobic |
C11 | CD1 | PHE- 67 | 3.84 | 0 | Hydrophobic |
C12 | CE1 | PHE- 67 | 3.87 | 0 | Hydrophobic |
C13 | CB | ASP- 68 | 4.02 | 0 | Hydrophobic |
C11 | CB | ASP- 68 | 4.43 | 0 | Hydrophobic |
C5 | CZ | PHE- 77 | 3.74 | 0 | Hydrophobic |
C4 | CE2 | PHE- 77 | 3.58 | 0 | Hydrophobic |
C29 | CG1 | VAL- 86 | 4.17 | 0 | Hydrophobic |
C4 | CG1 | VAL- 86 | 4.14 | 0 | Hydrophobic |
C37 | CG2 | ILE- 87 | 4.04 | 0 | Hydrophobic |
C3 | CG1 | ILE- 87 | 4.35 | 0 | Hydrophobic |
C20 | CG2 | ILE- 87 | 3.98 | 0 | Hydrophobic |
O2 | N | ILE- 87 | 2.86 | 162.34 | H-Bond (Protein Donor) |
C5 | CZ2 | TRP- 90 | 4.04 | 0 | Hydrophobic |
C3 | CE2 | TRP- 90 | 3.39 | 0 | Hydrophobic |
C16 | CE1 | TYR- 113 | 4.23 | 0 | Hydrophobic |
C37 | CD1 | TYR- 113 | 3.56 | 0 | Hydrophobic |
C12 | CZ | TYR- 113 | 4.27 | 0 | Hydrophobic |
O3 | OH | TYR- 113 | 2.65 | 163.17 | H-Bond (Protein Donor) |
C11 | CD | LYS- 121 | 3.87 | 0 | Hydrophobic |
C12 | CG1 | ILE- 122 | 3.58 | 0 | Hydrophobic |
C3 | CZ | PHE- 130 | 4.22 | 0 | Hydrophobic |