Cobalt 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:

Chlorine

(Cl)

1 atom

The binding sites of Cobalt 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 Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Cys-Gly Dipeptidase Glij in Complex with CO2+, PDB code: 5ns2:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Cys-Gly Dipeptidase Glij in Complex with CO2+


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co 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:Co401 b:44.3 occ:1.00 OE2 A:GLU134 1.9 38.4 1.0 NE2 A:HIS224 2.1 40.7 1.0 NE2 A:HIS203 2.1 49.1 1.0 O A:HOH603 2.3 40.4 1.0 O A:HOH655 2.6 61.6 1.0 CE1 A:HIS203 3.0 48.4 1.0 CD2 A:HIS224 3.0 39.6 1.0 CE1 A:HIS224 3.0 41.7 1.0 CD A:GLU134 3.1 38.6 1.0 CD2 A:HIS203 3.1 48.3 1.0 CO A:CO402 3.6 43.3 1.0 OE1 A:GLU134 3.7 38.8 1.0 OD1 A:ASP294 4.0 47.4 1.0 ND1 A:HIS203 4.1 48.8 1.0 OD2 A:ASP294 4.1 47.7 1.0 NH1 A:ARG235 4.1 48.5 1.0 ND1 A:HIS224 4.1 40.7 1.0 CG A:HIS224 4.2 40.2 1.0 CG A:HIS203 4.2 48.4 1.0 NE2 A:HIS161 4.2 53.4 1.0 NE2 A:HIS23 4.2 41.1 1.0 CG A:GLU134 4.3 42.0 1.0 CD2 A:HIS161 4.3 53.1 1.0 CG A:ASP294 4.3 46.5 1.0 O A:HOH552 4.5 47.6 1.0 CD2 A:HIS23 4.6 40.5 1.0 O A:HOH613 4.7 62.5 1.0 CE1 A:HIS23 4.8 41.6 1.0 OD1 A:ASP25 4.9 44.1 1.0

Cobalt binding site 2 out of 2 in the Cys-Gly Dipeptidase Glij in Complex with CO2+


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Cys-Gly Dipeptidase Glij in Complex with CO2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Co402 b:43.3 occ:1.00 OD1 A:ASP25 1.8 44.1 1.0 OE1 A:GLU134 2.0 38.8 1.0 NE2 A:HIS23 2.2 41.1 1.0 O A:HOH552 2.4 47.6 1.0 CG A:ASP25 2.6 43.6 1.0 OD2 A:ASP25 2.7 44.3 1.0 CD A:GLU134 2.9 38.6 1.0 CD2 A:HIS23 3.1 40.5 1.0 OE2 A:GLU134 3.1 38.4 1.0 CE1 A:HIS23 3.2 41.6 1.0 O A:HOH655 3.4 61.6 1.0 CO A:CO401 3.6 44.3 1.0 OG A:SER69 3.8 42.2 1.0 OD1 A:ASP294 3.8 47.4 1.0 CB A:ASP25 4.0 44.0 1.0 CG A:GLU134 4.2 42.0 1.0 CG A:HIS23 4.3 40.4 1.0 ND1 A:HIS23 4.3 41.1 1.0 CB A:SER69 4.3 42.5 1.0 CB A:PHE71 4.4 41.2 1.0 NE2 A:HIS224 4.4 40.7 1.0 CB A:GLU134 4.6 42.9 1.0 O A:HOH692 4.6 61.0 1.0 CG A:PHE71 4.6 43.3 1.0 CE1 A:HIS224 4.7 41.7 1.0 CG A:ASP294 4.9 46.5 1.0 CA A:ASP25 5.0 43.4 1.0 CD1 A:PHE71 5.0 44.7 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