1.900 Å
X-ray
2012-08-10
Name: | Ephrin type-A receptor 3 |
---|---|
ID: | EPHA3_HUMAN |
AC: | P29320 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 2.7.10.1 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 21.983 |
---|---|
Number of residues: | 32 |
Including | |
Standard Amino Acids: | 31 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.237 | 479.250 |
% Hydrophobic | % Polar |
---|---|
51.41 | 48.59 |
According to VolSite |
HET Code: | L87 |
---|---|
Formula: | C19H21N5O2 |
Molecular weight: | 351.402 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 64.97 % |
Polar Surface area: | 71.64 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 3 |
H-Bond Donors: | 1 |
Rings: | 4 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 4 |
X | Y | Z |
---|---|---|
20.1144 | -10.8425 | 23.0486 |
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 |
C18 | CG2 | VAL- 627 | 4.3 | 0 | Hydrophobic |
C6 | CG2 | VAL- 635 | 4.27 | 0 | Hydrophobic |
C26 | CB | ALA- 651 | 3.8 | 0 | Hydrophobic |
C6 | CD | LYS- 653 | 4.21 | 0 | Hydrophobic |
C13 | CD | LYS- 653 | 4.44 | 0 | Hydrophobic |
C26 | CG | LYS- 653 | 3.4 | 0 | Hydrophobic |
C13 | CG | GLU- 670 | 4.49 | 0 | Hydrophobic |
C13 | CE | MET- 674 | 3.28 | 0 | Hydrophobic |
C12 | CG2 | ILE- 697 | 3.65 | 0 | Hydrophobic |
C12 | CG2 | THR- 699 | 3.28 | 0 | Hydrophobic |
N4 | O | MET- 702 | 2.85 | 127.7 | H-Bond (Ligand Donor) |
O3 | N | MET- 702 | 2.84 | 151.09 | H-Bond (Protein Donor) |
C8 | CD1 | LEU- 753 | 3.98 | 0 | Hydrophobic |
C9 | CD2 | LEU- 753 | 3.82 | 0 | Hydrophobic |
C15 | CB | SER- 763 | 4.42 | 0 | Hydrophobic |
C9 | CB | SER- 763 | 3.76 | 0 | Hydrophobic |
C9 | CB | ASP- 764 | 4.16 | 0 | Hydrophobic |