Iron in PDB 2wul: Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster

The structure of Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster, PDB code: 2wul was solved by A.K.Roos, C.Johansson, K.Guo, W.W.Yue, A.C.W.Pike, C.D.O.Cooper, E.S.Pilka, K.L.Kavanagh, A.Chaikuad, F.Von Delft, C.H.Arrowsmith, J.Weigelt, A.Edwards, C.Bountra, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.07 / 2.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.995, 68.995, 229.331, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25.1

The structure of Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iron atom in the Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster (pdb code 2wul). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster, PDB code: 2wul:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes 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 the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1150 b:28.6 occ:1.00 FE1 A:FES1150 0.0 28.6 1.0 S2 A:FES1150 2.2 27.2 1.0 S1 A:FES1150 2.2 27.0 1.0 SG2 A:GSH300 2.3 30.9 1.0 SG A:CYS67 2.3 10.3 1.0 FE2 A:FES1150 2.9 29.5 1.0 CB2 A:GSH300 3.4 27.0 1.0 CB A:CYS67 3.5 11.3 1.0 CD2 A:PHE69 3.8 9.6 1.0 O A:HOH2003 4.1 11.5 1.0 NZ A:LYS59 4.1 6.0 1.0 CD A:LYS59 4.1 6.2 1.0 CE2 A:PHE69 4.2 10.0 1.0 CA A:CYS67 4.5 11.5 1.0 SG B:CYS67 4.7 16.8 1.0 SG2 B:GSH300 4.7 29.8 1.0 CE A:LYS59 4.7 9.3 1.0 CA2 A:GSH300 4.8 30.9 1.0 CG A:PHE69 4.8 10.0 1.0 N2 A:GSH300 5.0 27.1 1.0

Iron binding site 2 out of 4 in the Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes 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 the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1150 b:29.5 occ:1.00 FE2 A:FES1150 0.0 29.5 1.0 S2 A:FES1150 2.2 27.2 1.0 S1 A:FES1150 2.2 27.0 1.0 SG B:CYS67 2.3 16.8 1.0 SG2 B:GSH300 2.3 29.8 1.0 FE1 A:FES1150 2.9 28.6 1.0 CB B:CYS67 3.3 12.7 1.0 CB2 B:GSH300 3.6 26.5 1.0 CD2 B:PHE69 3.9 11.4 1.0 O B:HOH2007 4.1 9.9 1.0 NZ B:LYS59 4.1 10.8 1.0 CD B:LYS59 4.2 11.0 1.0 CE2 B:PHE69 4.3 11.3 1.0 CA B:CYS67 4.5 12.3 1.0 SG2 A:GSH300 4.6 30.9 1.0 SG A:CYS67 4.7 10.3 1.0 CE B:LYS59 4.8 16.8 1.0 CA2 B:GSH300 4.9 28.3 1.0 CG B:PHE69 4.9 11.3 1.0 N2 B:GSH300 5.0 26.5 1.0

Iron binding site 3 out of 4 in the Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1149 b:27.3 occ:1.00 FE1 C:FES1149 0.0 27.3 1.0 S2 C:FES1149 2.2 26.5 1.0 S1 C:FES1149 2.2 26.5 1.0 SG2 C:GSH300 2.3 26.7 1.0 SG C:CYS67 2.4 18.6 1.0 FE2 C:FES1149 2.9 28.2 1.0 CB2 C:GSH300 3.5 21.7 1.0 CB C:CYS67 3.5 14.8 1.0 NZ C:LYS59 3.9 13.7 1.0 CD2 C:PHE69 4.0 11.2 1.0 O C:HOH2002 4.0 13.1 1.0 CD C:LYS59 4.1 13.8 1.0 CE2 C:PHE69 4.4 8.6 1.0 CA C:CYS67 4.6 15.4 1.0 CE C:LYS59 4.6 15.4 1.0 SG D:CYS67 4.7 15.5 1.0 SG2 D:GSH300 4.7 26.7 1.0 CA2 C:GSH300 4.8 25.7 1.0 N2 C:GSH300 4.9 21.6 1.0

Iron binding site 4 out of 4 in the Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1149 b:28.2 occ:1.00 FE2 C:FES1149 0.0 28.2 1.0 S1 C:FES1149 2.2 26.5 1.0 S2 C:FES1149 2.2 26.5 1.0 SG D:CYS67 2.4 15.5 1.0 SG2 D:GSH300 2.4 26.7 1.0 FE1 C:FES1149 2.9 27.3 1.0 CB D:CYS67 3.3 11.8 1.0 CB2 D:GSH300 3.5 28.1 1.0 CD2 D:PHE69 3.8 11.4 1.0 NZ D:LYS59 3.9 13.4 1.0 O D:HOH2009 4.1 11.8 1.0 CE2 D:PHE69 4.3 14.7 1.0 CD D:LYS59 4.4 14.1 1.0 CA D:CYS67 4.5 10.6 1.0 SG2 C:GSH300 4.6 26.7 1.0 CE D:LYS59 4.6 18.0 1.0 SG C:CYS67 4.7 18.6 1.0 CG D:PHE69 4.8 14.2 1.0 CA2 D:GSH300 4.9 26.4 1.0 NZ C:LYS59 5.0 13.7 1.0 CB2 C:GSH300 5.0 21.7 1.0

C.Johansson, A.K.Roos, S.J.Montano, R.Sengupta, P.Filippakopoulos, K.Guo, F.Von Delft, A.Holmgren, U.Oppermann, K.L.Kavanagh. The Crystal Structure of Human GLRX5: Iron Sulphur Cluster Coordination, Tetrameric Assembly and Monomer Activity. Biochem.J. V. 433 303 2011.
ISSN: ISSN 0264-6021
PubMed: 21029046
DOI: 10.1042/BJ20101286