2.450 Å
X-ray
2012-08-29
Name: | Geranylgeranyl transferase type-2 subunit beta |
---|---|
ID: | PGTB2_RAT |
AC: | Q08603 |
Organism: | Rattus norvegicus |
Reign: | Eukaryota |
TaxID: | 10116 |
EC Number: | 2.5.1.60 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 13 % |
B | 87 % |
B-Factor: | 40.107 |
---|---|
Number of residues: | 32 |
Including | |
Standard Amino Acids: | 30 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 1 |
Cofactors: | |
Metals: | ZN |
Ligandability | Volume (Å3) |
---|---|
1.026 | 536.625 |
% Hydrophobic | % Polar |
---|---|
52.83 | 47.17 |
According to VolSite |
HET Code: | 7TP |
---|---|
Formula: | C33H32N4O6S |
Molecular weight: | 612.695 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 36.96 % |
Polar Surface area: | 126.49 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 7 |
H-Bond Donors: | 1 |
Rings: | 6 |
Aromatic rings: | 5 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 9 |
X | Y | Z |
---|---|---|
3.76541 | 20.7385 | 27.7996 |
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 |
OAE | OH | TYR- 44 | 3.11 | 133.64 | H-Bond (Protein Donor) |
CAQ | CD2 | LEU- 45 | 4.27 | 0 | Hydrophobic |
CAX | CD2 | LEU- 45 | 4.46 | 0 | Hydrophobic |
CAV | CD2 | LEU- 45 | 4 | 0 | Hydrophobic |
CAX | CH2 | TRP- 52 | 4.14 | 0 | Hydrophobic |
CAH | CD2 | LEU- 96 | 4.44 | 0 | Hydrophobic |
CAX | CE2 | PHE- 289 | 3.99 | 0 | Hydrophobic |
CAZ | CZ | PHE- 289 | 4.15 | 0 | Hydrophobic |
CBH | CB | PHE- 289 | 4.31 | 0 | Hydrophobic |
NBA | ZN | ZN- 401 | 2.01 | 0 | Metal Acceptor |
DuAr | ZN | ZN- 401 | 3.13 | 95.04 | Pi/Cation |