2.750 Å
X-ray
2013-08-08
Name: | Actin-5C |
---|---|
ID: | ACT1_DROME |
AC: | P10987 |
Organism: | Drosophila melanogaster |
Reign: | Eukaryota |
TaxID: | 7227 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
C | 100 % |
B-Factor: | 69.246 |
---|---|
Number of residues: | 45 |
Including | |
Standard Amino Acids: | 44 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 0 |
Cofactors: | |
Metals: | CA |
Ligandability | Volume (Å3) |
---|---|
0.890 | 1066.500 |
% Hydrophobic | % Polar |
---|---|
45.25 | 54.75 |
According to VolSite |
HET Code: | ATP |
---|---|
Formula: | C10H12N5O13P3 |
Molecular weight: | 503.149 g/mol |
DrugBank ID: | DB00171 |
Buried Surface Area: | 71.87 % |
Polar Surface area: | 319.88 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 17 |
H-Bond Donors: | 3 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
44.415 | 8.38729 | -17.6939 |
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 |
O3G | N | SER- 14 | 2.89 | 137.71 | H-Bond (Protein Donor) |
O3G | OG | SER- 14 | 2.65 | 127.61 | H-Bond (Protein Donor) |
O3B | N | SER- 14 | 3.36 | 151.39 | H-Bond (Protein Donor) |
O3B | OG | SER- 14 | 3.08 | 155.9 | H-Bond (Protein Donor) |
O2B | N | GLY- 15 | 3.38 | 154.53 | H-Bond (Protein Donor) |
O2B | N | MET- 16 | 3.03 | 127.56 | H-Bond (Protein Donor) |
O1B | NZ | LYS- 18 | 3.23 | 0 | Ionic (Protein Cationic) |
O2B | NZ | LYS- 18 | 3.38 | 0 | Ionic (Protein Cationic) |
O2A | NZ | LYS- 18 | 2.66 | 0 | Ionic (Protein Cationic) |
O2A | NZ | LYS- 18 | 2.66 | 160.49 | H-Bond (Protein Donor) |
O1G | N | ASP- 157 | 3.24 | 128.57 | H-Bond (Protein Donor) |
O3B | N | ASP- 157 | 3.11 | 168.04 | H-Bond (Protein Donor) |
O3' | OD1 | ASP- 157 | 2.55 | 131.73 | H-Bond (Ligand Donor) |
C4' | CB | ASP- 157 | 3.72 | 0 | Hydrophobic |
O2' | NZ | LYS- 213 | 2.98 | 134.15 | H-Bond (Protein Donor) |
N3 | NZ | LYS- 213 | 3.4 | 155.57 | H-Bond (Protein Donor) |
O2' | OE2 | GLU- 214 | 3.06 | 140.46 | H-Bond (Ligand Donor) |
O1A | N | GLY- 302 | 3.12 | 165.23 | H-Bond (Protein Donor) |
O2G | CA | CA- 402 | 2.39 | 0 | Metal Acceptor |
O1B | CA | CA- 402 | 2.29 | 0 | Metal Acceptor |