Iron in PDB 5j3r: Crystal Structure of Yeast Monothiol Glutaredoxin GRX6 in Complex with A Glutathione-Coordinated [2FE-2S] Cluster

The structure of Crystal Structure of Yeast Monothiol Glutaredoxin GRX6 in Complex with A Glutathione-Coordinated [2FE-2S] Cluster, PDB code: 5j3r was solved by M.Abdalla, Y.-N.Dai, C.-B.Chi, W.Cheng, D.-D.Cao, K.Zhou, W.Ali, Y.Chen, C.-Z.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.96 / 2.46
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.657, 58.657, 161.763, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23

The binding sites of Iron atom in the Crystal Structure of Yeast Monothiol Glutaredoxin GRX6 in Complex with A Glutathione-Coordinated [2FE-2S] Cluster (pdb code 5j3r). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Yeast Monothiol Glutaredoxin GRX6 in Complex with A Glutathione-Coordinated [2FE-2S] Cluster, PDB code: 5j3r:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Yeast Monothiol Glutaredoxin GRX6 in Complex with A Glutathione-Coordinated [2FE-2S] Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Yeast Monothiol Glutaredoxin GRX6 in Complex with A Glutathione-Coordinated [2FE-2S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:37.3 occ:0.50 FE1 A:FES301 0.0 37.3 0.5 SG2 A:GSH302 2.2 40.4 1.0 S2 A:FES301 2.2 37.2 0.5 S1 A:FES301 2.2 37.7 0.5 SG A:CYS136 2.3 39.6 1.0 FE2 A:FES301 3.0 37.1 0.5 CB2 A:GSH302 3.2 38.8 1.0 CB A:CYS136 3.5 35.9 1.0 CA A:CYS136 3.9 36.8 1.0 N A:TYR138 4.0 36.2 1.0 N A:SER137 4.0 35.9 1.0 CB A:TYR138 4.0 35.5 1.0 C A:CYS136 4.2 37.2 1.0 CA2 A:GSH302 4.6 42.5 1.0 CA A:TYR138 4.6 35.4 1.0 CG A:TYR138 4.8 36.1 1.0 C A:SER137 5.0 36.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Yeast Monothiol Glutaredoxin GRX6 in Complex with A Glutathione-Coordinated [2FE-2S] Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Yeast Monothiol Glutaredoxin GRX6 in Complex with A Glutathione-Coordinated [2FE-2S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:37.1 occ:0.50 FE2 A:FES301 0.0 37.1 0.5 S2 A:FES301 2.2 37.2 0.5 S1 A:FES301 2.2 37.7 0.5 FE1 A:FES301 3.0 37.3 0.5 N A:SER137 4.3 35.9 1.0 SG2 A:GSH302 4.4 40.4 1.0 CA A:CYS136 4.7 36.8 1.0 SG A:CYS136 4.8 39.6 1.0 OG A:SER137 5.0 39.6 1.0

M.Abdalla, Y.-N.Dai, C.-B.Chi, W.Cheng, D.-D.Cao, K.Zhou, W.Ali, Y.Chen, C.-Z.Zhou. Crystal Structure of Yeast Monothiol Glutaredoxin GRX6 in Complex with A Glutathione-Coordinated [2FE-2S] Cluster Acta Crystallogr.,Sect.F V. 72 732 2016.
ISSN: ESSN 2053-230X
PubMed: 27710937
DOI: 10.1107/S2053230X16013418