2.900 Å
X-ray
2015-11-02
Name: | RuvB-like helicase |
---|---|
ID: | G0RYC2_CHATD |
AC: | G0RYC2 |
Organism: | Chaetomium thermophilum |
Reign: | Eukaryota |
TaxID: | 759272 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 3 % |
B | 97 % |
B-Factor: | 99.999 |
---|---|
Number of residues: | 34 |
Including | |
Standard Amino Acids: | 34 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.437 | 1022.625 |
% Hydrophobic | % Polar |
---|---|
52.15 | 47.85 |
According to VolSite |
HET Code: | ADP |
---|---|
Formula: | C10H12N5O10P2 |
Molecular weight: | 424.177 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 68.81 % |
Polar Surface area: | 260.7 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 14 |
H-Bond Donors: | 3 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 3 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
209.801 | 38.9404 | 51.7796 |
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 |
O1A | NE2 | HIS- 24 | 3.11 | 128 | H-Bond (Protein Donor) |
O3' | ND1 | HIS- 24 | 3.3 | 144.35 | H-Bond (Ligand Donor) |
O2' | NE2 | HIS- 26 | 3.03 | 145.98 | H-Bond (Ligand Donor) |
N1 | N | VAL- 47 | 2.59 | 129.49 | H-Bond (Protein Donor) |
O1B | N | THR- 81 | 3.03 | 171.73 | H-Bond (Protein Donor) |
O2B | OG1 | THR- 84 | 2.79 | 160.29 | H-Bond (Protein Donor) |
O2B | N | THR- 84 | 3.07 | 156.51 | H-Bond (Protein Donor) |
C2' | CB | ALA- 85 | 4.13 | 0 | Hydrophobic |
N6 | OH | TYR- 361 | 3.04 | 150.24 | H-Bond (Ligand Donor) |
C1' | CG2 | ILE- 369 | 3.85 | 0 | Hydrophobic |
C5' | CD1 | LEU- 398 | 4.14 | 0 | Hydrophobic |