Chlorine in PDB 5ns1: Cys-Gly Dipeptidase Glij in Complex with NI2+

All present enzymatic activity of Cys-Gly Dipeptidase Glij in Complex with NI2+:
3.4.13.19;

The structure of Cys-Gly Dipeptidase Glij in Complex with NI2+, PDB code: 5ns1 was solved by M.Groll, E.M.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.350, 99.350, 107.370, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 20.1

The structure of Cys-Gly Dipeptidase Glij in Complex with NI2+ also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

The binding sites of Chlorine atom in the Cys-Gly Dipeptidase Glij in Complex with NI2+ (pdb code 5ns1). 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 Cys-Gly Dipeptidase Glij in Complex with NI2+, PDB code: 5ns1:

Chlorine binding site 1 out of 1 in the Cys-Gly Dipeptidase Glij in Complex with NI2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cys-Gly Dipeptidase Glij in Complex with NI2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:85.6 occ:1.00 N A:LEU299 4.8 74.5 1.0 C A:MET298 4.8 71.2 1.0 O A:MET298 5.0 69.2 1.0

A.Marion, M.Groll, D.H.Scharf, K.Scherlach, M.Glaser, H.Sievers, M.Schuster, C.Hertweck, A.A.Brakhage, I.Antes, E.M.Huber. Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase Glij. Acs Chem. Biol. V. 12 1874 2017.
ISSN: ESSN 1554-8937
PubMed: 28525266
DOI: 10.1021/ACSCHEMBIO.6B00847