1.870 Å
X-ray
2013-07-30
Name: | Lysine-specific demethylase 4B |
---|---|
ID: | KDM4B_HUMAN |
AC: | O94953 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 1.14.11 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
D | 0 % |
B-Factor: | 15.120 |
---|---|
Number of residues: | 23 |
Including | |
Standard Amino Acids: | 23 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.599 | 924.750 |
% Hydrophobic | % Polar |
---|---|
32.85 | 67.15 |
According to VolSite |
HET Code: | PD2 |
---|---|
Formula: | C7H3NO4 |
Molecular weight: | 165.103 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 66.39 % |
Polar Surface area: | 93.15 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 0 |
Rings: | 1 |
Aromatic rings: | 1 |
Anionic atoms: | 2 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
-6.12117 | -1.52792 | -9.97117 |
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 |
O42 | OH | TYR- 133 | 2.6 | 144.34 | H-Bond (Protein Donor) |
O41 | OH | TYR- 133 | 3.34 | 127.38 | H-Bond (Protein Donor) |
C4 | CB | PHE- 186 | 3.8 | 0 | Hydrophobic |
O41 | NZ | LYS- 207 | 2.67 | 159.79 | H-Bond (Protein Donor) |
O41 | NZ | LYS- 207 | 2.67 | 0 | Ionic (Protein Cationic) |
O21 | NZ | LYS- 242 | 2.97 | 172.57 | H-Bond (Protein Donor) |
O21 | NZ | LYS- 242 | 2.97 | 0 | Ionic (Protein Cationic) |
O22 | NZ | LYS- 242 | 3.54 | 0 | Ionic (Protein Cationic) |