2.200 Å
X-ray
2006-05-02
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 | 19 % |
C | 81 % |
B-Factor: | 34.449 |
---|---|
Number of residues: | 44 |
Including | |
Standard Amino Acids: | 37 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 7 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.953 | 1431.000 |
% Hydrophobic | % Polar |
---|---|
40.09 | 59.91 |
According to VolSite |
HET Code: | NMN |
---|---|
Formula: | C11H14N2O8P |
Molecular weight: | 333.211 g/mol |
DrugBank ID: | DB03227 |
Buried Surface Area: | 62 % |
Polar Surface area: | 178.89 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 8 |
H-Bond Donors: | 3 |
Rings: | 2 |
Aromatic rings: | 1 |
Anionic atoms: | 2 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 5 |
X | Y | Z |
---|---|---|
48.4325 | 3.62882 | 74.0763 |
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 |
C5 | CB | ASP- 16 | 4.09 | 0 | Hydrophobic |
C5R | CB | PHE- 193 | 3.94 | 0 | Hydrophobic |
C3R | CD1 | PHE- 193 | 4.1 | 0 | Hydrophobic |
C5 | CB | PHE- 193 | 3.75 | 0 | Hydrophobic |
DuAr | DuAr | PHE- 193 | 3.89 | 0 | Aromatic Face/Face |
C4 | CB | ASP- 219 | 4.01 | 0 | Hydrophobic |
O2R | NH2 | ARG- 311 | 2.93 | 130.36 | H-Bond (Protein Donor) |
O3R | OD2 | ASP- 313 | 2.79 | 157.14 | H-Bond (Protein Donor) |
O3R | O | GLY- 353 | 2.58 | 153.89 | H-Bond (Ligand Donor) |
O2P | N | GLY- 384 | 2.64 | 153.67 | H-Bond (Protein Donor) |
O2P | NH1 | ARG- 392 | 3.49 | 131.75 | H-Bond (Protein Donor) |