1.820 Å
X-ray
2011-05-10
Name: | Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase |
---|---|
ID: | GLCNE_HUMAN |
AC: | Q9Y223 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 2.7.1.60 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 34.756 |
---|---|
Number of residues: | 33 |
Including | |
Standard Amino Acids: | 30 |
Non Standard Amino Acids: | 2 |
Water Molecules: | 1 |
Cofactors: | |
Metals: | MG |
Ligandability | Volume (Å3) |
---|---|
0.274 | 681.750 |
% Hydrophobic | % Polar |
---|---|
38.61 | 61.39 |
According to VolSite |
HET Code: | ADP |
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Formula: | C10H12N5O10P2 |
Molecular weight: | 424.177 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 49.92 % |
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 |
---|---|---|
-6.019 | 40.6507 | 24.3626 |
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 |
O3B | N | GLY- 416 | 3.35 | 125.41 | H-Bond (Protein Donor) |
O2B | N | THR- 417 | 3 | 151.67 | H-Bond (Protein Donor) |
C5' | CB | THR- 417 | 4.19 | 0 | Hydrophobic |
O2B | N | ASN- 418 | 3.04 | 176.11 | H-Bond (Protein Donor) |
O2A | ND2 | ASN- 418 | 2.84 | 136.33 | H-Bond (Protein Donor) |
O2A | NH1 | ARG- 420 | 3.3 | 130.17 | H-Bond (Protein Donor) |
O2A | NH2 | ARG- 420 | 2.89 | 146.3 | H-Bond (Protein Donor) |
O2A | CZ | ARG- 420 | 3.51 | 0 | Ionic (Protein Cationic) |
O3B | N | THR- 544 | 2.83 | 145.51 | H-Bond (Protein Donor) |
O3A | OG1 | THR- 544 | 3.24 | 141.77 | H-Bond (Protein Donor) |
C4' | CB | THR- 544 | 4.36 | 0 | Hydrophobic |
O1B | MG | MG- 1723 | 2.18 | 0 | Metal Acceptor |