Iron in the structure of Crystal Structure of the Human Glutaredoxin 5 With Bound Glutathione in An Fes Cluster (pdb 2wul)

The binding sites of Iron atom in the structure of Crystal Structure of the Human Glutaredoxin 5 With Bound Glutathione in An Fes Cluster (pdb code 2wul). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2wul structure 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, brief refinement statistics is given in the table below: Resolution (A) 66.1-2.4 Space group P43212 a (A) 68.995 b (A) 68.995 c (A) 229.331 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.966 Rfree (%) 25.079 Iron Binding Sites: Iron binding site 1 out of 4 in 2wul Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2wul. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Lys59, A: Cys67, A: Phe69, B: Cys67, A: Gsh300, A: Fes1150, B: Gsh300, A: Hoh2003, conact list: Atom Atom Distance (A) Fe CE A:Lys59 4.71 Fe CD A:Lys59 4.11 Fe NZ A:Lys59 4.10 Fe CB A:Cys67 3.47 Fe SG A:Cys67 2.33 Fe CA A:Cys67 4.55 Fe CE2 A:Phe69 4.24 Fe CD2 A:Phe69 3.80 Fe CG A:Phe69 4.84 Fe SG B:Cys67 4.67 Fe CA2 A:Gsh300 4.78 Fe N2 A:Gsh300 4.97 Fe SG2 A:Gsh300 2.30 Fe CB2 A:Gsh300 3.45 Fe S1 A:Fes1150 2.21 Fe S2 A:Fes1150 2.19 Fe FE1 A:Fes1150 0.00 Fe FE2 A:Fes1150 2.94 Fe SG2 B:Gsh300 4.67 Fe O A:Hoh2003 4.09 interactive model: Iron binding site 2 out of 4 in 2wul Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2wul. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Cys67, B: Lys59, B: Cys67, B: Phe69, A: Gsh300, A: Fes1150, B: Gsh300, B: Hoh2007, conact list: Atom Atom Distance (A) Fe SG A:Cys67 4.75 Fe CE B:Lys59 4.80 Fe CD B:Lys59 4.25 Fe NZ B:Lys59 4.13 Fe CB B:Cys67 3.31 Fe SG B:Cys67 2.29 Fe CA B:Cys67 4.45 Fe CE2 B:Phe69 4.32 Fe CD2 B:Phe69 3.89 Fe CG B:Phe69 4.94 Fe SG2 A:Gsh300 4.58 Fe S1 A:Fes1150 2.21 Fe S2 A:Fes1150 2.21 Fe FE1 A:Fes1150 2.94 Fe FE2 A:Fes1150 0.00 Fe CA2 B:Gsh300 4.89 Fe N2 B:Gsh300 4.98 Fe SG2 B:Gsh300 2.32 Fe CB2 B:Gsh300 3.58 Fe O B:Hoh2007 4.12 interactive model: Iron binding site 3 out of 4 in 2wul Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2wul. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Lys59, C: Cys67, C: Phe69, D: Cys67, C: Gsh300, C: Fes1149, D: Gsh300, C: Hoh2002, conact list: Atom Atom Distance (A) Fe CE C:Lys59 4.62 Fe CD C:Lys59 4.13 Fe NZ C:Lys59 3.94 Fe CB C:Cys67 3.48 Fe SG C:Cys67 2.42 Fe CA C:Cys67 4.58 Fe CE2 C:Phe69 4.44 Fe CD2 C:Phe69 4.00 Fe SG D:Cys67 4.71 Fe CA2 C:Gsh300 4.77 Fe N2 C:Gsh300 4.89 Fe SG2 C:Gsh300 2.32 Fe CB2 C:Gsh300 3.46 Fe S1 C:Fes1149 2.21 Fe S2 C:Fes1149 2.19 Fe FE1 C:Fes1149 0.00 Fe FE2 C:Fes1149 2.89 Fe SG2 D:Gsh300 4.73 Fe O C:Hoh2002 4.04 interactive model: Iron binding site 4 out of 4 in 2wul Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2wul. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Lys59, C: Cys67, D: Lys59, D: Cys67, D: Phe69, C: Gsh300, C: Fes1149, D: Gsh300, D: Hoh2009, conact list: Atom Atom Distance (A) Fe NZ C:Lys59 4.95 Fe SG C:Cys67 4.72 Fe CE D:Lys59 4.61 Fe CD D:Lys59 4.44 Fe NZ D:Lys59 3.93 Fe CB D:Cys67 3.26 Fe SG D:Cys67 2.39 Fe CA D:Cys67 4.45 Fe CE2 D:Phe69 4.30 Fe CD2 D:Phe69 3.85 Fe CG D:Phe69 4.83 Fe SG2 C:Gsh300 4.60 Fe CB2 C:Gsh300 4.98 Fe S1 C:Fes1149 2.19 Fe S2 C:Fes1149 2.20 Fe FE1 C:Fes1149 2.89 Fe FE2 C:Fes1149 0.00 Fe CA2 D:Gsh300 4.88 Fe SG2 D:Gsh300 2.40 Fe CB2 D:Gsh300 3.51 Fe O D:Hoh2009 4.08 interactive model: