Iron in PDB 5lx0: Cys-Gly Dipeptidase Glij (Space Group P3221)

All present enzymatic activity of Cys-Gly Dipeptidase Glij (Space Group P3221):
3.4.13.19;

The structure of Cys-Gly Dipeptidase Glij (Space Group P3221), PDB code: 5lx0 was solved by E.M.Huber, M.Groll, 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 (°)	100.010, 100.010, 107.150, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 19.5

The binding sites of Iron atom in the Cys-Gly Dipeptidase Glij (Space Group P3221) (pdb code 5lx0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cys-Gly Dipeptidase Glij (Space Group P3221), PDB code: 5lx0:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cys-Gly Dipeptidase Glij (Space Group P3221)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cys-Gly Dipeptidase Glij (Space Group P3221) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:45.8 occ:1.00 OE1 A:GLU134 2.2 41.2 1.0 O A:HOH607 2.3 52.6 1.0 OD1 A:ASP25 2.3 46.0 1.0 OD2 A:ASP25 2.4 40.8 1.0 NE2 A:HIS23 2.6 41.2 1.0 CG A:ASP25 2.6 42.1 1.0 CD A:GLU134 3.0 42.9 1.0 OE2 A:GLU134 3.1 41.4 1.0 CD2 A:HIS23 3.2 40.7 1.0 FE A:FE402 3.4 57.8 1.0 CE1 A:HIS23 3.7 41.3 1.0 OD1 A:ASP294 3.7 48.4 1.0 O A:HOH514 3.7 53.0 1.0 OG A:SER69 4.0 39.0 1.0 CB A:ASP25 4.1 41.8 1.0 CG A:HIS23 4.5 40.1 1.0 CG A:GLU134 4.5 42.5 1.0 CB A:PHE71 4.5 43.5 1.0 NE2 A:HIS224 4.6 41.4 1.0 CB A:SER69 4.6 38.8 1.0 CG A:PHE71 4.6 44.6 1.0 ND1 A:HIS23 4.6 40.2 1.0 CG A:ASP294 4.8 47.0 1.0 CE1 A:HIS224 4.9 41.3 1.0 CA A:GLY297 4.9 48.3 1.0 CD1 A:PHE71 4.9 45.3 1.0 CB A:GLU134 5.0 42.1 1.0

Iron binding site 2 out of 2 in the Cys-Gly Dipeptidase Glij (Space Group P3221)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cys-Gly Dipeptidase Glij (Space Group P3221) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:57.8 occ:1.00 OE2 A:GLU134 2.1 41.4 1.0 NE2 A:HIS224 2.4 41.4 1.0 NE2 A:HIS203 2.4 47.9 1.0 O A:HOH514 2.7 53.0 1.0 O A:HOH568 2.8 50.2 1.0 CD2 A:HIS203 3.2 46.4 1.0 CD A:GLU134 3.3 42.9 1.0 CD2 A:HIS224 3.3 41.1 1.0 CE1 A:HIS224 3.3 41.3 1.0 FE A:FE401 3.4 45.8 1.0 CE1 A:HIS203 3.4 49.1 1.0 OE1 A:GLU134 3.8 41.2 1.0 OD1 A:ASP294 3.9 48.4 1.0 NE2 A:HIS161 4.1 53.5 1.0 OD2 A:ASP294 4.2 49.6 1.0 CD2 A:HIS161 4.2 52.7 1.0 O A:HOH607 4.2 52.6 1.0 CG A:ASP294 4.3 47.0 1.0 NH1 A:ARG235 4.4 54.4 1.0 CG A:HIS203 4.4 47.7 1.0 NE2 A:HIS23 4.4 41.2 1.0 ND1 A:HIS224 4.4 41.7 1.0 CG A:HIS224 4.4 41.0 1.0 ND1 A:HIS203 4.5 49.6 1.0 CG A:GLU134 4.5 42.5 1.0 O A:HOH509 4.7 63.1 1.0 CD2 A:HIS23 4.7 40.7 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