Iron in the structure of Alpha Subunit of A. Brasilense Glutamate Synthase (pdb 1ea0)

The binding sites of Iron atom in the structure of Alpha Subunit of A. Brasilense Glutamate Synthase (pdb code 1ea0). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1ea0 structure was solved by C.BINDA, R.T.BOSSI, M.A.VANONI, A.MATTEVI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-3.0 Space group P3121 a (A) 233.612 b (A) 233.612 c (A) 305.089 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 25.587 Rfree (%) 28.712 Iron Binding Sites: Iron binding site 1 out of 6 in 1ea0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1ea0. 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: Met479, A: Cys1102, A: Ile1103, A: Met1104, A: Cys1108, A: Cys1113, A: Val1117, A: Cys1118, A: F3s2476, conact list: Atom Atom Distance (A) Fe CE A:Met479 4.69 Fe N A:Cys1102 4.90 Fe CB A:Cys1102 2.93 Fe SG A:Cys1102 2.06 Fe C A:Cys1102 4.31 Fe CA A:Cys1102 3.64 Fe N A:Ile1103 4.20 Fe N A:Met1104 4.10 Fe CA A:Met1104 4.61 Fe SG A:Cys1108 4.19 Fe SG A:Cys1113 4.42 Fe CB A:Val1117 4.72 Fe CG1 A:Val1117 4.63 Fe SG A:Cys1118 4.89 Fe S1 A:F3s2476 2.06 Fe FE1 A:F3s2476 0.00 Fe FE3 A:F3s2476 2.80 Fe S4 A:F3s2476 3.71 Fe S2 A:F3s2476 2.16 Fe FE4 A:F3s2476 2.44 Fe S3 A:F3s2476 2.19 interactive model: Iron binding site 2 out of 6 in 1ea0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1ea0. 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: Cys1102, A: Val1105, A: Cys1108, A: Cys1113, A: Pro1114, A: Val1117, A: Cys1118, A: F3s2476, conact list: Atom Atom Distance (A) Fe SG A:Cys1102 4.60 Fe CG1 A:Val1105 4.68 Fe SG A:Cys1108 4.31 Fe CB A:Cys1113 3.46 Fe SG A:Cys1113 1.89 Fe C A:Cys1113 4.89 Fe CA A:Cys1113 4.25 Fe N A:Pro1114 4.83 Fe CD A:Pro1114 4.36 Fe CB A:Val1117 4.56 Fe N A:Cys1118 4.48 Fe S1 A:F3s2476 2.18 Fe FE1 A:F3s2476 2.80 Fe FE3 A:F3s2476 0.00 Fe S4 A:F3s2476 2.11 Fe S2 A:F3s2476 3.39 Fe FE4 A:F3s2476 2.67 Fe S3 A:F3s2476 2.04 interactive model: Iron binding site 3 out of 6 in 1ea0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1ea0. 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: Met479, A: Cys1102, A: Arg1106, A: Gln1107, A: Cys1108, A: Cys1113, A: Cys1118, A: F3s2476, conact list: Atom Atom Distance (A) Fe CE A:Met479 4.52 Fe SG A:Cys1102 4.29 Fe N A:Arg1106 4.94 Fe N A:Gln1107 4.54 Fe C A:Gln1107 4.84 Fe N A:Cys1108 4.19 Fe CB A:Cys1108 3.39 Fe SG A:Cys1108 1.90 Fe CA A:Cys1108 4.10 Fe SG A:Cys1113 4.20 Fe N A:Cys1118 4.89 Fe SG A:Cys1118 3.56 Fe S1 A:F3s2476 2.08 Fe FE1 A:F3s2476 2.44 Fe FE3 A:F3s2476 2.67 Fe S4 A:F3s2476 2.16 Fe S2 A:F3s2476 2.16 Fe FE4 A:F3s2476 0.00 Fe S3 A:F3s2476 3.35 interactive model: Iron binding site 4 out of 6 in 1ea0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1ea0. 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: B: Met479, B: Cys1102, B: Ile1103, B: Met1104, B: Cys1108, B: Cys1113, B: Val1117, B: F3s2476, conact list: Atom Atom Distance (A) Fe CE B:Met479 4.55 Fe N B:Cys1102 4.88 Fe CB B:Cys1102 2.87 Fe SG B:Cys1102 1.91 Fe C B:Cys1102 4.30 Fe CA B:Cys1102 3.57 Fe N B:Ile1103 4.09 Fe N B:Met1104 4.32 Fe CA B:Met1104 4.87 Fe SG B:Cys1108 4.39 Fe SG B:Cys1113 4.27 Fe CB B:Val1117 4.90 Fe CG1 B:Val1117 4.72 Fe S1 B:F3s2476 2.23 Fe FE1 B:F3s2476 0.00 Fe FE3 B:F3s2476 2.54 Fe S4 B:F3s2476 3.84 Fe S2 B:F3s2476 2.19 Fe FE4 B:F3s2476 2.57 Fe S3 B:F3s2476 2.11 interactive model: Iron binding site 5 out of 6 in 1ea0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1ea0. 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: B: Cys1102, B: Val1105, B: Cys1108, B: Cys1113, B: Pro1114, B: Val1117, B: Cys1118, B: F3s2476, conact list: Atom Atom Distance (A) Fe SG B:Cys1102 4.27 Fe CG1 B:Val1105 4.96 Fe SG B:Cys1108 4.17 Fe CB B:Cys1113 3.49 Fe SG B:Cys1113 2.12 Fe C B:Cys1113 4.99 Fe CA B:Cys1113 4.36 Fe CD B:Pro1114 4.60 Fe CB B:Val1117 4.92 Fe N B:Cys1118 4.61 Fe CB B:Cys1118 4.96 Fe S1 B:F3s2476 2.12 Fe FE1 B:F3s2476 2.54 Fe FE3 B:F3s2476 0.00 Fe S4 B:F3s2476 2.08 Fe S2 B:F3s2476 3.07 Fe FE4 B:F3s2476 2.46 Fe S3 B:F3s2476 2.20 interactive model: Iron binding site 6 out of 6 in 1ea0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 1ea0. 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: B: Met479, B: Cys1102, B: Arg1106, B: Gln1107, B: Cys1108, B: Cys1113, B: Cys1118, B: F3s2476, conact list: Atom Atom Distance (A) Fe CE B:Met479 4.34 Fe SG B:Cys1102 4.17 Fe N B:Arg1106 4.88 Fe CA B:Arg1106 4.97 Fe N B:Gln1107 4.43 Fe C B:Gln1107 4.74 Fe N B:Cys1108 4.04 Fe CB B:Cys1108 3.50 Fe SG B:Cys1108 1.93 Fe CA B:Cys1108 4.07 Fe SG B:Cys1113 4.24 Fe N B:Cys1118 4.98 Fe CB B:Cys1118 4.17 Fe SG B:Cys1118 4.02 Fe S1 B:F3s2476 3.56 Fe FE1 B:F3s2476 2.57 Fe FE3 B:F3s2476 2.46 Fe S4 B:F3s2476 2.12 Fe S2 B:F3s2476 2.08 Fe FE4 B:F3s2476 0.00 Fe S3 B:F3s2476 2.15 interactive model: