Chlorine in PDB 8dtj: Human Nampt in Complex with Small Molecule Activator Zn-43-S

All present enzymatic activity of Human Nampt in Complex with Small Molecule Activator Zn-43-S:
2.4.2.12;

The structure of Human Nampt in Complex with Small Molecule Activator Zn-43-S, PDB code: 8dtj was solved by K.Ratia, R.Xiong, Z.Shen, G.R.Thatcher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.67 / 2.12
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.499, 107.483, 83.399, 90, 96.64, 90
R / Rfree (%)	21.6 / 24.6

The structure of Human Nampt in Complex with Small Molecule Activator Zn-43-S also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the Human Nampt in Complex with Small Molecule Activator Zn-43-S (pdb code 8dtj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Nampt in Complex with Small Molecule Activator Zn-43-S, PDB code: 8dtj:

Chlorine binding site 1 out of 1 in the Human Nampt in Complex with Small Molecule Activator Zn-43-S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Nampt in Complex with Small Molecule Activator Zn-43-S within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1205 b:58.0 occ:1.00 O B:HOH1374 3.5 48.2 1.0 N B:GLY384 3.6 34.0 1.0 O B:HOH1436 4.0 46.5 1.0 CA B:GLY383 4.1 36.8 1.0 NH2 A:ARG392 4.1 50.7 1.0 O A:HOH1266 4.1 37.8 1.0 C B:GLY383 4.4 36.5 1.0 N B:GLY383 4.5 38.4 1.0 CA B:GLY384 4.6 38.3 1.0 O B:HOH1472 4.9 42.2 1.0

K.M.Ratia, Z.Shen, J.Gordon-Blake, H.Lee, M.S.Laham, I.S.Krider, N.Christie, M.Ackerman-Berrier, C.Penton, N.G.Knowles, S.R.Musku, J.Fu, G.R.Velma, R.Xiong, G.R.J.Thatcher. Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular Nad. Biochemistry V. 62 923 2023.
ISSN: ISSN 0006-2960
PubMed: 36746631
DOI: 10.1021/ACS.BIOCHEM.2C00655