1.750 Å
X-ray
2014-05-16
Name: | Nuclear receptor subfamily 5 group A member 2 |
---|---|
ID: | NR5A2_HUMAN |
AC: | O00482 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 35 % |
E | 5 % |
G | 60 % |
B-Factor: | 32.035 |
---|---|
Number of residues: | 22 |
Including | |
Standard Amino Acids: | 21 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.903 | 951.750 |
% Hydrophobic | % Polar |
---|---|
41.13 | 58.87 |
According to VolSite |
HET Code: | CPS |
---|---|
Formula: | C32H58N2O7S |
Molecular weight: | 614.877 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 51.12 % |
Polar Surface area: | 155.36 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 7 |
H-Bond Donors: | 4 |
Rings: | 4 |
Aromatic rings: | 0 |
Anionic atoms: | 1 |
Cationic atoms: | 1 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 12 |
X | Y | Z |
---|---|---|
-61.9589 | -8.04856 | 18.034 |
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 |
C13 | CD1 | LEU- 459 | 4.4 | 0 | Hydrophobic |
C15 | CD1 | LEU- 459 | 4.06 | 0 | Hydrophobic |
C11 | CD1 | LEU- 459 | 4.1 | 0 | Hydrophobic |
C12 | CG | GLU- 471 | 3.59 | 0 | Hydrophobic |
C1 | CB | GLN- 474 | 3.8 | 0 | Hydrophobic |
C11 | CB | GLN- 474 | 4.27 | 0 | Hydrophobic |
C3 | CB | GLU- 475 | 3.97 | 0 | Hydrophobic |
C4 | CG | GLU- 475 | 3.78 | 0 | Hydrophobic |
C3 | CB | ASN- 478 | 4.34 | 0 | Hydrophobic |
C10 | CB | ASN- 478 | 3.57 | 0 | Hydrophobic |
C21 | CB | ALA- 479 | 3.96 | 0 | Hydrophobic |
C22 | CD2 | LEU- 482 | 4.36 | 0 | Hydrophobic |
C7 | CG | GLU- 515 | 3.79 | 0 | Hydrophobic |
C17 | CB | GLU- 515 | 3.65 | 0 | Hydrophobic |
O3 | OE1 | GLU- 515 | 2.79 | 152.09 | H-Bond (Ligand Donor) |
C10 | CZ | TYR- 519 | 4.17 | 0 | Hydrophobic |
C11 | CE2 | TYR- 519 | 3.55 | 0 | Hydrophobic |
C16 | CD1 | TYR- 519 | 3.51 | 0 | Hydrophobic |
C18 | CE1 | TYR- 519 | 3.66 | 0 | Hydrophobic |