1.840 Å
X-ray
2008-07-29
Name: | S-adenosylmethionine decarboxylase proenzyme |
---|---|
ID: | DCAM_HUMAN |
AC: | P17707 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 4.1.1.50 |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 36 % |
A | 64 % |
B-Factor: | 21.793 |
---|---|
Number of residues: | 27 |
Including | |
Standard Amino Acids: | 27 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.675 | 398.250 |
% Hydrophobic | % Polar |
---|---|
47.46 | 52.54 |
According to VolSite |
HET Code: | C8M |
---|---|
Formula: | C15H24N7O4 |
Molecular weight: | 366.396 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 69.64 % |
Polar Surface area: | 166.84 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 8 |
H-Bond Donors: | 5 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 1 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
-27.1364 | -3.92946 | 38.8543 |
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 |
C2' | CG | PHE- 7 | 3.99 | 0 | Hydrophobic |
C3' | CD2 | PHE- 7 | 4.05 | 0 | Hydrophobic |
N1 | O | LEU- 65 | 3.01 | 152.32 | H-Bond (Ligand Donor) |
N3 | N | GLU- 67 | 3.08 | 164.6 | H-Bond (Protein Donor) |
N7 | O | GLU- 67 | 3.32 | 157.49 | H-Bond (Ligand Donor) |
C4 | SG | CYS- 82 | 3.38 | 0 | Hydrophobic |
C1' | CB | PHE- 223 | 4.02 | 0 | Hydrophobic |
C8 | CB | PHE- 223 | 3.99 | 0 | Hydrophobic |
N1 | OG | SER- 229 | 2.92 | 159.18 | H-Bond (Ligand Donor) |
C4 | CB | HIS- 243 | 4.18 | 0 | Hydrophobic |
C3' | CG2 | THR- 245 | 3.95 | 0 | Hydrophobic |
O2' | OE2 | GLU- 247 | 2.99 | 146.8 | H-Bond (Ligand Donor) |
O3' | OE1 | GLU- 247 | 2.83 | 136.58 | H-Bond (Ligand Donor) |