2.400 Å
X-ray
2008-07-03
Name: | Glyceraldehyde-3-phosphate dehydrogenase |
---|---|
ID: | Q2YRE0_BRUA2 |
AC: | Q2YRE0 |
Organism: | Brucella abortus |
Reign: | Bacteria |
TaxID: | 359391 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 9 % |
B | 91 % |
B-Factor: | 21.659 |
---|---|
Number of residues: | 51 |
Including | |
Standard Amino Acids: | 47 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 4 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.198 | 1015.875 |
% Hydrophobic | % Polar |
---|---|
37.87 | 62.13 |
According to VolSite |
HET Code: | NAD |
---|---|
Formula: | C21H26N7O14P2 |
Molecular weight: | 662.417 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 56.56 % |
Polar Surface area: | 343.54 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 18 |
H-Bond Donors: | 6 |
Rings: | 5 |
Aromatic rings: | 3 |
Anionic atoms: | 2 |
Cationic atoms: | 1 |
Rule of Five Violation: | 3 |
Rotatable Bonds: | 11 |
X | Y | Z |
---|---|---|
3.80014 | 10.5906 | 28.2575 |
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 |
O2A | N | ARG- 12 | 3.07 | 171.7 | H-Bond (Protein Donor) |
O2N | N | ILE- 13 | 3 | 167.36 | H-Bond (Protein Donor) |
C5D | CG2 | ILE- 13 | 3.42 | 0 | Hydrophobic |
O3B | OD2 | ASP- 36 | 3.1 | 164.91 | H-Bond (Ligand Donor) |
O2B | OD1 | ASP- 36 | 2.97 | 161.14 | H-Bond (Ligand Donor) |
N6A | O | ARG- 80 | 3.41 | 167.95 | H-Bond (Ligand Donor) |
O4D | OG | SER- 122 | 3.19 | 165.18 | H-Bond (Protein Donor) |
C5N | CB | CYS- 153 | 3.69 | 0 | Hydrophobic |
O7N | ND2 | ASN- 316 | 2.73 | 163.45 | H-Bond (Protein Donor) |
C5N | CB | PHE- 320 | 4.46 | 0 | Hydrophobic |
O2A | O | HOH- 992 | 2.63 | 169.24 | H-Bond (Protein Donor) |
O2N | O | HOH- 1060 | 2.59 | 179.98 | H-Bond (Protein Donor) |