Chlorine in PDB 5ns2: Cys-Gly Dipeptidase Glij in Complex with CO2+

All present enzymatic activity of Cys-Gly Dipeptidase Glij in Complex with CO2+:
3.4.13.19;

The structure of Cys-Gly Dipeptidase Glij in Complex with CO2+, PDB code: 5ns2 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 / 2.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.450, 99.450, 106.950, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 19.6

The structure of Cys-Gly Dipeptidase Glij in Complex with CO2+ also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

The binding sites of Chlorine atom in the Cys-Gly Dipeptidase Glij in Complex with CO2+ (pdb code 5ns2). 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 CO2+, PDB code: 5ns2:

Chlorine binding site 1 out of 1 in the Cys-Gly Dipeptidase Glij in Complex with CO2+


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 CO2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:70.8 occ:1.00 NH1 A:ARG123 3.0 79.2 1.0 CE2 A:TRP119 3.9 47.4 1.0 CD2 A:TRP119 4.1 47.7 1.0 NE1 A:TRP119 4.1 47.0 1.0 CZ A:ARG123 4.2 80.4 1.0 CZ2 A:TRP119 4.3 47.5 1.0 CG A:TRP119 4.4 46.5 1.0 CD1 A:TRP119 4.4 46.1 1.0 CE3 A:TRP119 4.5 49.0 1.0 CH2 A:TRP119 4.7 48.6 1.0 NH2 A:ARG123 4.7 82.8 1.0 CZ3 A:TRP119 4.8 49.4 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