1.650 Å
X-ray
2007-06-26
Name: | Phosphoenolpyruvate carboxykinase, cytosolic [GTP] |
---|---|
ID: | PCKGC_RAT |
AC: | P07379 |
Organism: | Rattus norvegicus |
Reign: | Eukaryota |
TaxID: | 10116 |
EC Number: | 4.1.1.32 |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 19.463 |
---|---|
Number of residues: | 35 |
Including | |
Standard Amino Acids: | 30 |
Non Standard Amino Acids: | 2 |
Water Molecules: | 3 |
Cofactors: | |
Metals: | MN MN |
Ligandability | Volume (Å3) |
---|---|
0.328 | 756.000 |
% Hydrophobic | % Polar |
---|---|
44.64 | 55.36 |
According to VolSite |
HET Code: | GDP |
---|---|
Formula: | C10H12N5O11P2 |
Molecular weight: | 440.177 g/mol |
DrugBank ID: | DB04315 |
Buried Surface Area: | 60.87 % |
Polar Surface area: | 276.39 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 14 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 1 |
Anionic atoms: | 3 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
-6.153 | 1.333 | -29.1239 |
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- 287 | 2.82 | 153.65 | H-Bond (Protein Donor) |
O3B | N | GLY- 289 | 3.21 | 133.52 | H-Bond (Protein Donor) |
O3A | N | GLY- 289 | 2.88 | 130.8 | H-Bond (Protein Donor) |
O3B | N | LYS- 290 | 2.85 | 157.89 | H-Bond (Protein Donor) |
O2B | N | THR- 291 | 2.96 | 166.73 | H-Bond (Protein Donor) |
O1A | N | ASN- 292 | 2.8 | 145.13 | H-Bond (Protein Donor) |
O6 | N | PHE- 530 | 2.96 | 173.33 | H-Bond (Protein Donor) |
C2' | CE1 | PHE- 530 | 4.21 | 0 | Hydrophobic |
O6 | ND2 | ASN- 533 | 3.06 | 150.39 | H-Bond (Protein Donor) |
O2B | MN | MN- 624 | 2.16 | 0 | Metal Acceptor |
N3 | O | HOH- 4499 | 3.13 | 179.97 | H-Bond (Protein Donor) |
O1A | O | HOH- 4608 | 3 | 179.98 | H-Bond (Protein Donor) |