1.310 Å
X-ray
2011-08-17
Name: | GTPase HRas |
---|---|
ID: | RASH_HUMAN |
AC: | P01112 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 18.016 |
---|---|
Number of residues: | 37 |
Including | |
Standard Amino Acids: | 34 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 2 |
Cofactors: | |
Metals: | MG |
Ligandability | Volume (Å3) |
---|---|
0.445 | 428.625 |
% Hydrophobic | % Polar |
---|---|
49.61 | 50.39 |
According to VolSite |
HET Code: | GNP |
---|---|
Formula: | C10H13N6O13P3 |
Molecular weight: | 518.164 g/mol |
DrugBank ID: | DB02082 |
Buried Surface Area: | 69.55 % |
Polar Surface area: | 338.36 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 16 |
H-Bond Donors: | 5 |
Rings: | 3 |
Aromatic rings: | 1 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
11.5236 | 33.1784 | 19.5702 |
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 |
O1B | N | GLY- 13 | 3.45 | 124.79 | H-Bond (Protein Donor) |
O1B | N | GLY- 15 | 3.14 | 149.98 | H-Bond (Protein Donor) |
O3A | N | GLY- 15 | 3.19 | 127.46 | H-Bond (Protein Donor) |
O2G | NZ | LYS- 16 | 2.7 | 155.74 | H-Bond (Protein Donor) |
O1B | N | LYS- 16 | 3.02 | 156.51 | H-Bond (Protein Donor) |
O1B | NZ | LYS- 16 | 2.85 | 149.61 | H-Bond (Protein Donor) |
O2G | NZ | LYS- 16 | 2.7 | 0 | Ionic (Protein Cationic) |
O1B | NZ | LYS- 16 | 2.85 | 0 | Ionic (Protein Cationic) |
O2B | N | SER- 17 | 2.96 | 161.67 | H-Bond (Protein Donor) |
O1A | N | ALA- 18 | 2.88 | 147.9 | H-Bond (Protein Donor) |
C2' | CZ | PHE- 28 | 4.22 | 0 | Hydrophobic |
O3G | N | THR- 35 | 3.03 | 141.6 | H-Bond (Protein Donor) |
O2G | N | GLY- 60 | 3 | 131.92 | H-Bond (Protein Donor) |
N7 | ND2 | ASN- 116 | 3.1 | 136.08 | H-Bond (Protein Donor) |
N1 | OD2 | ASP- 119 | 2.99 | 168.88 | H-Bond (Ligand Donor) |
N2 | OD1 | ASP- 119 | 2.9 | 177.17 | H-Bond (Ligand Donor) |
O6 | N | ALA- 146 | 2.83 | 126.55 | H-Bond (Protein Donor) |
O3G | MG | MG- 168 | 1.97 | 0 | Metal Acceptor |
O2B | MG | MG- 168 | 2 | 0 | Metal Acceptor |
O1G | O | HOH- 252 | 2.74 | 179.96 | H-Bond (Protein Donor) |