2.650 Å
X-ray
2011-07-25
Name: | Glycogen phosphorylase, muscle form |
---|---|
ID: | PYGM_RABIT |
AC: | P00489 |
Organism: | Oryctolagus cuniculus |
Reign: | Eukaryota |
TaxID: | 9986 |
EC Number: | 2.4.1.1 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 17.215 |
---|---|
Number of residues: | 37 |
Including | |
Standard Amino Acids: | 34 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 2 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.738 | 533.250 |
% Hydrophobic | % Polar |
---|---|
48.73 | 51.27 |
According to VolSite |
HET Code: | GPW |
---|---|
Formula: | C11H13F3N2O7 |
Molecular weight: | 342.225 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 77.52 % |
Polar Surface area: | 139.56 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 7 |
H-Bond Donors: | 5 |
Rings: | 2 |
Aromatic rings: | 0 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 3 |
X | Y | Z |
---|---|---|
34.4359 | 22.9822 | 28.5337 |
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 |
O2 | N | LEU- 136 | 3.19 | 147.92 | H-Bond (Protein Donor) |
C1' | CB | LEU- 136 | 4.1 | 0 | Hydrophobic |
C6' | CB | LEU- 136 | 4.47 | 0 | Hydrophobic |
F2 | CD1 | LEU- 136 | 3.76 | 0 | Hydrophobic |
C6' | CB | LEU- 139 | 4.18 | 0 | Hydrophobic |
N3 | OD1 | ASP- 283 | 2.73 | 162.68 | H-Bond (Ligand Donor) |
F1 | CB | ASN- 284 | 4.38 | 0 | Hydrophobic |
O4 | N | ASN- 284 | 2.94 | 158.45 | H-Bond (Protein Donor) |
O2' | ND2 | ASN- 284 | 3.47 | 158.05 | H-Bond (Protein Donor) |
F2 | CB | ASP- 339 | 4.34 | 0 | Hydrophobic |
C7 | CB | HIS- 377 | 4.22 | 0 | Hydrophobic |
F1 | CG2 | THR- 378 | 3.6 | 0 | Hydrophobic |
F3 | CB | THR- 378 | 3.49 | 0 | Hydrophobic |
F1 | CB | ALA- 383 | 3.62 | 0 | Hydrophobic |
O4' | ND2 | ASN- 484 | 3.39 | 125.91 | H-Bond (Protein Donor) |
O2' | OE1 | GLU- 672 | 3.12 | 157.6 | H-Bond (Ligand Donor) |
O3' | OE1 | GLU- 672 | 2.68 | 156.87 | H-Bond (Ligand Donor) |
O3' | N | SER- 674 | 2.93 | 167.89 | H-Bond (Protein Donor) |
C4' | CB | SER- 674 | 4.31 | 0 | Hydrophobic |
O3' | N | GLY- 675 | 3.15 | 145.68 | H-Bond (Protein Donor) |
O4' | N | GLY- 675 | 2.84 | 129.83 | H-Bond (Protein Donor) |