2.450 Å
X-ray
2006-11-29
Name: | Endoplasmin |
---|---|
ID: | ENPL_CANLF |
AC: | P41148 |
Organism: | Canis lupus familiaris |
Reign: | Eukaryota |
TaxID: | 9615 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 31.159 |
---|---|
Number of residues: | 30 |
Including | |
Standard Amino Acids: | 29 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 0 |
Cofactors: | |
Metals: | MG |
Ligandability | Volume (Å3) |
---|---|
0.232 | 388.125 |
% Hydrophobic | % Polar |
---|---|
46.96 | 53.04 |
According to VolSite |
HET Code: | ADP |
---|---|
Formula: | C10H12N5O10P2 |
Molecular weight: | 424.177 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 46.29 % |
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 |
---|---|---|
-14.4181 | 41.8823 | 53.6379 |
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 | ND2 | ASN- 107 | 3.4 | 135.81 | H-Bond (Protein Donor) |
N6 | OD2 | ASP- 149 | 3.09 | 165.2 | H-Bond (Ligand Donor) |
C1' | SD | MET- 154 | 4.06 | 0 | Hydrophobic |
C4' | CB | ASN- 162 | 4.18 | 0 | Hydrophobic |
C1' | CB | ASN- 162 | 3.9 | 0 | Hydrophobic |
O1A | N | PHE- 199 | 2.76 | 172.59 | H-Bond (Protein Donor) |
C5' | CB | PHE- 199 | 3.8 | 0 | Hydrophobic |
N6 | OG1 | THR- 245 | 3.1 | 122.56 | H-Bond (Ligand Donor) |
O1B | MG | MG- 755 | 2.28 | 0 | Metal Acceptor |
O3B | MG | MG- 755 | 2.63 | 0 | Metal Acceptor |