Chlorine in PDB 5nrz: Cys-Gly Dipeptidase Glij in Complex with MN2+

All present enzymatic activity of Cys-Gly Dipeptidase Glij in Complex with MN2+:
3.4.13.19;

The structure of Cys-Gly Dipeptidase Glij in Complex with MN2+, PDB code: 5nrz 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 / 2.05
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.270, 98.270, 106.010, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 19.2

The structure of Cys-Gly Dipeptidase Glij in Complex with MN2+ also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Cys-Gly Dipeptidase Glij in Complex with MN2+ (pdb code 5nrz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Cys-Gly Dipeptidase Glij in Complex with MN2+, PDB code: 5nrz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Cys-Gly Dipeptidase Glij in Complex with MN2+


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 MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:74.0 occ:1.00 NH2 A:ARG31 3.7 52.0 1.0 OE1 A:GLN93 4.4 38.5 1.0 NE2 A:GLN93 4.4 39.4 1.0 OE1 A:GLN90 4.8 52.7 1.0 CD A:GLN93 4.9 38.4 1.0 CG A:GLN90 5.0 43.1 1.0 CZ A:ARG31 5.0 50.9 1.0

Chlorine binding site 2 out of 3 in the Cys-Gly Dipeptidase Glij in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cys-Gly Dipeptidase Glij in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:68.4 occ:1.00 C A:MET298 4.6 42.2 1.0 O A:HOH729 4.7 57.1 1.0 O A:MET298 4.7 41.5 1.0 N A:LEU299 4.7 43.3 1.0 N A:MET298 4.8 41.4 1.0 O A:ASP296 4.9 38.4 1.0 CA A:MET298 4.9 41.8 1.0

Chlorine binding site 3 out of 3 in the Cys-Gly Dipeptidase Glij in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cys-Gly Dipeptidase Glij in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:70.3 occ:1.00 NH1 A:ARG123 3.6 75.0 1.0 O A:HOH576 3.8 64.0 1.0 CE2 A:TRP119 4.2 38.9 1.0 CD2 A:TRP119 4.3 38.6 1.0 NE1 A:TRP119 4.4 39.2 1.0 CZ2 A:TRP119 4.5 39.6 1.0 CG A:TRP119 4.5 37.6 1.0 CD1 A:TRP119 4.6 38.9 1.0 CE3 A:TRP119 4.7 39.1 1.0 CZ A:ARG123 4.8 73.7 1.0 CH2 A:TRP119 4.9 40.0 1.0 CZ3 A:TRP119 5.0 40.1 1.0 O A:HOH787 5.0 60.8 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