1.840 Å
X-ray
2013-04-27
Name: | Nicotinamide phosphoribosyltransferase |
---|---|
ID: | NAMPT_HUMAN |
AC: | P43490 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 2.4.2.12 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 9 % |
B | 91 % |
B-Factor: | 11.660 |
---|---|
Number of residues: | 46 |
Including | |
Standard Amino Acids: | 43 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 3 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.987 | 1346.625 |
% Hydrophobic | % Polar |
---|---|
41.60 | 58.40 |
According to VolSite |
HET Code: | 1R7 |
---|---|
Formula: | C25H31N4O4S |
Molecular weight: | 483.603 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 61.32 % |
Polar Surface area: | 103.11 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 2 |
Rings: | 5 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 5 |
X | Y | Z |
---|---|---|
9.65191 | -5.66632 | 45.1113 |
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 |
C28 | CB | TYR- 188 | 4.34 | 0 | Hydrophobic |
C4 | CB | HIS- 191 | 4.38 | 0 | Hydrophobic |
DuAr | DuAr | PHE- 193 | 3.97 | 0 | Aromatic Face/Face |
C14 | CB | PHE- 193 | 3.64 | 0 | Hydrophobic |
N8 | OD2 | ASP- 219 | 3.23 | 146.65 | H-Bond (Ligand Donor) |
N8 | OD1 | ASP- 219 | 3.4 | 141.02 | H-Bond (Ligand Donor) |
C24 | CG2 | VAL- 242 | 4.17 | 0 | Hydrophobic |
C6 | CG2 | VAL- 242 | 3.65 | 0 | Hydrophobic |
C1 | CB | ALA- 244 | 4.35 | 0 | Hydrophobic |
C30 | CG | PRO- 273 | 4.27 | 0 | Hydrophobic |
C34 | CG | PRO- 273 | 4.33 | 0 | Hydrophobic |
C1 | CB | SER- 275 | 3.52 | 0 | Hydrophobic |
C30 | CG | PRO- 307 | 3.84 | 0 | Hydrophobic |
C24 | CD1 | ILE- 309 | 3.74 | 0 | Hydrophobic |
C3 | CD1 | ILE- 351 | 3.77 | 0 | Hydrophobic |
C2 | CD1 | ILE- 351 | 3.77 | 0 | Hydrophobic |