2.700 Å
X-ray
1997-06-22
Name: | Cell division control protein 42 homolog |
---|---|
ID: | CDC42_HUMAN |
AC: | P60953 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 3 % |
E | 97 % |
B-Factor: | 13.193 |
---|---|
Number of residues: | 34 |
Including | |
Standard Amino Acids: | 33 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 0 |
Cofactors: | |
Metals: | MG |
Ligandability | Volume (Å3) |
---|---|
0.152 | 573.750 |
% Hydrophobic | % Polar |
---|---|
44.12 | 55.88 |
According to VolSite |
HET Code: | GNP |
---|---|
Formula: | C10H13N6O13P3 |
Molecular weight: | 518.164 g/mol |
DrugBank ID: | DB02082 |
Buried Surface Area: | 66.51 % |
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 |
---|---|---|
29.7784 | 19.0317 | 33.8401 |
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 | ALA- 513 | 3.42 | 122.59 | H-Bond (Protein Donor) |
O3A | N | GLY- 515 | 3.49 | 129.22 | H-Bond (Protein Donor) |
O1B | N | LYS- 516 | 2.94 | 134.99 | H-Bond (Protein Donor) |
O1B | NZ | LYS- 516 | 2.73 | 160.2 | H-Bond (Protein Donor) |
O1B | NZ | LYS- 516 | 2.73 | 0 | Ionic (Protein Cationic) |
O2B | N | THR- 517 | 3.03 | 148.63 | H-Bond (Protein Donor) |
O1A | N | CYS- 518 | 2.7 | 166.88 | H-Bond (Protein Donor) |
C2' | SG | CYS- 518 | 4.43 | 0 | Hydrophobic |
C2' | CZ | PHE- 528 | 4.2 | 0 | Hydrophobic |
C3' | CA | TYR- 532 | 4.07 | 0 | Hydrophobic |
O2G | N | THR- 535 | 3.26 | 159.6 | H-Bond (Protein Donor) |
O1G | N | GLY- 560 | 3.47 | 146.23 | H-Bond (Protein Donor) |
N1 | OD1 | ASP- 618 | 2.61 | 123.5 | H-Bond (Ligand Donor) |
N2 | OD1 | ASP- 618 | 2.66 | 130.49 | H-Bond (Ligand Donor) |
N2 | OD2 | ASP- 618 | 2.95 | 152.42 | H-Bond (Ligand Donor) |
O6 | N | ALA- 659 | 2.79 | 141.9 | H-Bond (Protein Donor) |
O6 | N | LEU- 660 | 3.5 | 145.32 | H-Bond (Protein Donor) |
O2G | MG | MG- 679 | 2.2 | 0 | Metal Acceptor |
O2B | MG | MG- 679 | 2.2 | 0 | Metal Acceptor |