2.100 Å
X-ray
1997-07-18
Name: | Myosin-2 heavy chain |
---|---|
ID: | MYS2_DICDI |
AC: | P08799 |
Organism: | Dictyostelium discoideum |
Reign: | Eukaryota |
TaxID: | 44689 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 27.393 |
---|---|
Number of residues: | 36 |
Including | |
Standard Amino Acids: | 33 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 2 |
Cofactors: | |
Metals: | MG |
Ligandability | Volume (Å3) |
---|---|
0.549 | 465.750 |
% Hydrophobic | % Polar |
---|---|
39.13 | 60.87 |
According to VolSite |
HET Code: | ADP |
---|---|
Formula: | C10H12N5O10P2 |
Molecular weight: | 424.177 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 60.29 % |
Polar Surface area: | 260.7 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 14 |
H-Bond Donors: | 3 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 3 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
12.1192 | 55.7998 | 7.3343 |
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 |
C4' | CE1 | PHE- 129 | 4.21 | 0 | Hydrophobic |
C1' | CD1 | PHE- 129 | 4.07 | 0 | Hydrophobic |
N6 | OH | TYR- 135 | 3 | 124.18 | H-Bond (Ligand Donor) |
O3B | N | GLY- 182 | 2.72 | 154.7 | H-Bond (Protein Donor) |
O1B | N | GLY- 184 | 3.02 | 128.07 | H-Bond (Protein Donor) |
O3A | N | GLY- 184 | 2.67 | 141.53 | H-Bond (Protein Donor) |
O1B | N | LYS- 185 | 2.8 | 166.17 | H-Bond (Protein Donor) |
O1B | NZ | LYS- 185 | 2.85 | 160.09 | H-Bond (Protein Donor) |
O3A | N | LYS- 185 | 3.41 | 125.13 | H-Bond (Protein Donor) |
O1B | NZ | LYS- 185 | 2.85 | 0 | Ionic (Protein Cationic) |
O3B | NZ | LYS- 185 | 3.7 | 0 | Ionic (Protein Cationic) |
O2B | N | THR- 186 | 3.04 | 156.96 | H-Bond (Protein Donor) |
O1A | N | GLU- 187 | 2.77 | 156.29 | H-Bond (Protein Donor) |
C3' | CG | GLU- 187 | 3.81 | 0 | Hydrophobic |
O2A | ND2 | ASN- 233 | 3.26 | 166.35 | H-Bond (Protein Donor) |
O2B | MG | MG- 998 | 1.96 | 0 | Metal Acceptor |
O2A | O | HOH- 8074 | 2.53 | 158.44 | H-Bond (Protein Donor) |