Iron in PDB 2wci: Structure of E. Coli Monothiol Glutaredoxin GRX4 Homodimer

The structure of Structure of E. Coli Monothiol Glutaredoxin GRX4 Homodimer, PDB code: 2wci was solved by T.Iwema, A.Picchiocci, D.A.K.Traore, J.-L.Ferrer, F.Chauvat, L.Jacquamet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.14 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	94.300, 94.300, 62.660, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23.4

The structure of Structure of E. Coli Monothiol Glutaredoxin GRX4 Homodimer also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Structure of E. Coli Monothiol Glutaredoxin GRX4 Homodimer (pdb code 2wci). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of E. Coli Monothiol Glutaredoxin GRX4 Homodimer, PDB code: 2wci:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of E. Coli Monothiol Glutaredoxin GRX4 Homodimer


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of E. Coli Monothiol Glutaredoxin GRX4 Homodimer within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1114 b:17.0 occ:1.00 FE1 A:FES1114 0.0 17.0 1.0 S1 A:FES1114 2.3 17.6 1.0 SG2 A:GSH1115 2.3 17.3 1.0 S2 A:FES1114 2.3 16.2 1.0 SG A:CYS30 2.3 18.8 1.0 FE2 A:FES1114 2.8 17.1 1.0 CB2 A:GSH1115 3.3 14.6 1.0 CB A:CYS30 3.3 16.8 1.0 NZ A:LYS22 4.0 15.6 1.0 CD2 A:PHE32 4.0 17.3 1.0 O A:HOH2036 4.2 16.0 1.0 CD A:LYS22 4.3 16.8 1.0 CE2 A:PHE32 4.4 20.3 1.0 O B:HOH2001 4.4 29.1 1.0 CA A:CYS30 4.5 16.1 1.0 SG2 B:GSH1115 4.6 19.0 1.0 CE A:LYS22 4.6 13.8 1.0 CA2 A:GSH1115 4.7 17.6 1.0 SG B:CYS30 4.7 17.1 1.0 O A:HOH2001 4.8 26.1 1.0 CB2 B:GSH1115 4.8 16.8 1.0 NZ B:LYS22 4.9 15.8 1.0 N2 A:GSH1115 4.9 13.6 1.0 O B:HOH2027 5.0 21.9 1.0

Iron binding site 2 out of 2 in the Structure of E. Coli Monothiol Glutaredoxin GRX4 Homodimer


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of E. Coli Monothiol Glutaredoxin GRX4 Homodimer within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1114 b:17.1 occ:1.00 FE2 A:FES1114 0.0 17.1 1.0 S2 A:FES1114 2.2 16.2 1.0 S1 A:FES1114 2.3 17.6 1.0 SG B:CYS30 2.3 17.1 1.0 SG2 B:GSH1115 2.4 19.0 1.0 FE1 A:FES1114 2.8 17.0 1.0 CB B:CYS30 3.3 15.7 1.0 CB2 B:GSH1115 3.3 16.8 1.0 NZ B:LYS22 4.0 15.8 1.0 O A:HOH2001 4.1 26.1 1.0 CD2 B:PHE32 4.1 18.6 1.0 O B:HOH2029 4.2 19.1 1.0 CD B:LYS22 4.3 16.4 1.0 CA B:CYS30 4.4 16.3 1.0 CE2 B:PHE32 4.5 21.0 1.0 SG2 A:GSH1115 4.6 17.3 1.0 SG A:CYS30 4.6 18.8 1.0 CE B:LYS22 4.7 17.1 1.0 O B:HOH2027 4.7 21.9 1.0 CA2 B:GSH1115 4.7 18.3 1.0 NZ A:LYS22 4.8 15.6 1.0 CB2 A:GSH1115 4.8 14.6 1.0 N2 B:GSH1115 4.9 17.5 1.0

T.Iwema, A.Picciocchi, D.A.K.Traore, J.-L.Ferrer, F.Chauvat, L.Jacquamet. Structural Basis For Delivery of the Intact [FE2S2] Cluster By Monothiol Glutaredoxin. Biochemistry V. 48 6041 2009.
ISSN: ISSN 0006-2960
PubMed: 19505088
DOI: 10.1021/BI900440M