2.600 Å
X-ray
1998-06-18
Name: | Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform |
---|---|
ID: | PHKG1_RABIT |
AC: | P00518 |
Organism: | Oryctolagus cuniculus |
Reign: | Eukaryota |
TaxID: | 9986 |
EC Number: | 2.7.11.19 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 21.459 |
---|---|
Number of residues: | 37 |
Including | |
Standard Amino Acids: | 35 |
Non Standard Amino Acids: | 2 |
Water Molecules: | 0 |
Cofactors: | |
Metals: | MN MN |
Ligandability | Volume (Å3) |
---|---|
0.934 | 577.125 |
% Hydrophobic | % Polar |
---|---|
56.14 | 43.86 |
According to VolSite |
HET Code: | ATP |
---|---|
Formula: | C10H12N5O13P3 |
Molecular weight: | 503.149 g/mol |
DrugBank ID: | DB00171 |
Buried Surface Area: | 60.26 % |
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 |
---|---|---|
47.9635 | 10.0563 | 48.5997 |
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 | OG | SER- 31 | 3.03 | 163.33 | H-Bond (Protein Donor) |
C1' | CG1 | VAL- 33 | 4 | 0 | Hydrophobic |
C5' | CG2 | VAL- 33 | 3.7 | 0 | Hydrophobic |
O2B | NZ | LYS- 48 | 3.22 | 0 | Ionic (Protein Cationic) |
O1A | NZ | LYS- 48 | 3.21 | 0 | Ionic (Protein Cationic) |
O1A | NZ | LYS- 48 | 3.21 | 135.42 | H-Bond (Protein Donor) |
N6 | O | ASP- 104 | 2.99 | 170.42 | H-Bond (Ligand Donor) |
N1 | N | MET- 106 | 3.17 | 163.87 | H-Bond (Protein Donor) |
C2' | CG | GLU- 110 | 3.86 | 0 | Hydrophobic |
O2' | OE2 | GLU- 110 | 2.54 | 159.73 | H-Bond (Ligand Donor) |
O2G | NZ | LYS- 151 | 3.22 | 148.78 | H-Bond (Protein Donor) |
O2G | NZ | LYS- 151 | 3.22 | 0 | Ionic (Protein Cationic) |
O3' | O | GLU- 153 | 3.03 | 155.43 | H-Bond (Ligand Donor) |
C2' | CD2 | LEU- 156 | 4 | 0 | Hydrophobic |
O3G | MN | MN- 382 | 2.26 | 0 | Metal Acceptor |
O2B | MN | MN- 382 | 2.26 | 0 | Metal Acceptor |
O2G | MN | MN- 383 | 2.02 | 0 | Metal Acceptor |
O3B | MN | MN- 383 | 2.71 | 0 | Metal Acceptor |
O2A | MN | MN- 383 | 2.13 | 0 | Metal Acceptor |