Chlorine in PDB 1khz: Structure of the Adpr-Ase in Complex with Ampcpr and Mg

All present enzymatic activity of Structure of the Adpr-Ase in Complex with Ampcpr and Mg:
3.6.1.13;

The structure of Structure of the Adpr-Ase in Complex with Ampcpr and Mg, PDB code: 1khz was solved by S.B.Gabelli, M.A.Bianchet, M.J.Bessman, L.M.Amzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.64 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.100, 67.400, 96.500, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25.7

The structure of Structure of the Adpr-Ase in Complex with Ampcpr and Mg also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Structure of the Adpr-Ase in Complex with Ampcpr and Mg (pdb code 1khz). 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 Structure of the Adpr-Ase in Complex with Ampcpr and Mg, PDB code: 1khz:

Chlorine binding site 1 out of 1 in the Structure of the Adpr-Ase in Complex with Ampcpr and Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Adpr-Ase in Complex with Ampcpr and Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:29.3 occ:1.00 O B:HOH458 3.3 25.1 1.0 O A:HOH480 3.8 24.6 1.0 OD2 A:ASP5 3.9 25.5 1.0 O B:HOH468 4.1 35.2 1.0 O A:HOH472 4.4 37.2 1.0 O A:HOH427 4.6 21.6 1.0 CG A:ASP5 4.9 25.0 1.0

S.B.Gabelli, M.A.Bianchet, Y.Ohnishi, Y.Ichikawa, M.J.Bessman, L.M.Amzel. Mechanism of the Escherichia Coli Adp-Ribose Pyrophosphatase, A Nudix Hydrolase. Biochemistry V. 41 9279 2002.
ISSN: ISSN 0006-2960
PubMed: 12135348
DOI: 10.1021/BI0259296