Iron in the structure of Ensemble Refinement Of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT3G21360 (pdb 2q4a)

The binding sites of Iron atom in the structure of Ensemble Refinement Of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT3G21360 (pdb code 2q4a). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2q4a structure was solved by E.J.LEVIN, D.A.KONDRASHOV, G.E.WESENBERG, G.N.PHILLIPS JR., CENTER FOREUKARYOTIC STRUCTURAL GENOMICS (CESG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 43.6-2.4 Space group C121 a (A) 145.276 b (A) 61.094 c (A) 114.681 alpha (°) 90.00 beta (°) 121.68 gamma (°) 90.00 Rfactor (%) 17.1 Rfree (%) 23.5 Iron Binding Sites: Iron binding site 1 out of 2 in 2q4a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2q4a. 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: His120, A: Glu122, A: His313, A: So4801, A: Hoh1131, A: Hoh1132, A: Hoh1133, A: Hoh1175, A: Hoh1206, A: His120, A: Glu122, A: Phe135, A: His313, A: So4801, A: Hoh1132, A: Hoh1133, A: Hoh1134, A: Hoh1178, A: Hoh1209, A: His120, A: Glu122, A: Phe135, A: His313, A: Hoh1130, A: Hoh1131, A: Hoh1132, A: Hoh1173, A: Hoh1204, A: His120, A: Glu122, A: Phe135, A: His313, A: Hoh1131, A: Hoh1132, A: Hoh1133, A: Hoh1175, A: Hoh1204, conact list: Atom Atom Distance (A) Fe NE2 A:His120 2.43 Fe ND1 A:His120 4.26 Fe CD2 A:His120 3.64 Fe CE1 A:His120 3.01 Fe CG A:His120 4.59 Fe OE1 A:Glu122 3.31 Fe CB A:Glu122 4.85 Fe OE2 A:Glu122 3.17 Fe CD A:Glu122 3.47 Fe CG A:Glu122 4.72 Fe CA A:Glu122 4.77 Fe NE2 A:His313 2.03 Fe ND1 A:His313 4.01 Fe CD2 A:His313 3.11 Fe CE1 A:His313 2.86 Fe CG A:His313 4.15 Fe O1 A:So4801 4.92 Fe O A:Hoh1131 2.43 Fe O A:Hoh1132 4.46 Fe O A:Hoh1133 4.24 Fe O A:Hoh1175 3.09 Fe O A:Hoh1206 4.53 Fe NE2 A:His120 2.43 Fe ND1 A:His120 4.26 Fe CD2 A:His120 3.64 Fe CE1 A:His120 3.01 Fe CG A:His120 4.59 Fe OE1 A:Glu122 3.31 Fe CB A:Glu122 4.85 Fe OE2 A:Glu122 3.17 Fe CD A:Glu122 3.47 Fe CG A:Glu122 4.72 Fe CA A:Glu122 4.77 Fe NE2 A:His313 2.03 Fe ND1 A:His313 4.01 Fe CD2 A:His313 3.11 Fe CE1 A:His313 2.86 Fe CG A:His313 4.15 Fe O1 A:So4801 4.92 Fe O A:Hoh1132 4.46 Fe O A:Hoh1133 4.24 Fe NE2 A:His120 2.43 Fe ND1 A:His120 4.26 Fe CD2 A:His120 3.64 Fe CE1 A:His120 3.01 Fe CG A:His120 4.59 Fe OE1 A:Glu122 3.31 Fe CB A:Glu122 4.85 Fe OE2 A:Glu122 3.17 Fe CD A:Glu122 3.47 Fe CG A:Glu122 4.72 Fe CA A:Glu122 4.77 Fe NE2 A:His313 2.03 Fe ND1 A:His313 4.01 Fe CD2 A:His313 3.11 Fe CE1 A:His313 2.86 Fe CG A:His313 4.15 Fe O A:Hoh1131 2.43 Fe O A:Hoh1132 4.46 Fe NE2 A:His120 2.43 Fe ND1 A:His120 4.26 Fe CD2 A:His120 3.64 Fe CE1 A:His120 3.01 Fe CG A:His120 4.59 Fe OE1 A:Glu122 3.31 Fe CB A:Glu122 4.85 Fe OE2 A:Glu122 3.17 Fe CD A:Glu122 3.47 Fe CG A:Glu122 4.72 Fe CA A:Glu122 4.77 Fe NE2 A:His313 2.03 Fe ND1 A:His313 4.01 Fe CD2 A:His313 3.11 Fe CE1 A:His313 2.86 Fe CG A:His313 4.15 Fe O A:Hoh1131 2.43 Fe O A:Hoh1132 4.46 Fe O A:Hoh1133 4.24 Fe O A:Hoh1175 3.09 interactive model: Iron binding site 2 out of 2 in 2q4a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2q4a. 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: His120, B: Glu122, B: His313, B: Hoh1179, B: Hoh1180, B: Hoh1181, B: Hoh1190, B: His120, B: Glu122, B: Phe135, B: His313, B: Hoh1176, B: Hoh1177, B: Hoh1178, B: Hoh1187, B: His120, B: Glu122, B: His313, B: Hoh1180, B: Hoh1181, B: Hoh1182, B: Hoh1191, B: His120, B: Glu122, B: Phe135, B: His313, B: Hoh1179, B: Hoh1180, B: Hoh1181, B: Hoh1190, conact list: Atom Atom Distance (A) Fe NE2 B:His120 2.58 Fe ND1 B:His120 4.06 Fe CD2 B:His120 3.93 Fe CE1 B:His120 2.75 Fe CG B:His120 4.65 Fe OE1 B:Glu122 2.78 Fe OE2 B:Glu122 3.95 Fe CD B:Glu122 3.74 Fe NE2 B:His313 2.28 Fe ND1 B:His313 4.26 Fe CD2 B:His313 3.02 Fe CE1 B:His313 3.29 Fe CG B:His313 4.17 Fe O B:Hoh1179 2.37 Fe O B:Hoh1180 2.05 Fe O B:Hoh1181 3.73 Fe O B:Hoh1190 4.29 Fe NE2 B:His120 2.58 Fe ND1 B:His120 4.06 Fe CD2 B:His120 3.93 Fe CE1 B:His120 2.75 Fe CG B:His120 4.65 Fe OE1 B:Glu122 2.78 Fe OE2 B:Glu122 3.95 Fe CD B:Glu122 3.74 Fe NE2 B:His313 2.28 Fe ND1 B:His313 4.26 Fe CD2 B:His313 3.02 Fe CE1 B:His313 3.29 Fe CG B:His313 4.17 Fe NE2 B:His120 2.58 Fe ND1 B:His120 4.06 Fe CD2 B:His120 3.93 Fe CE1 B:His120 2.75 Fe CG B:His120 4.65 Fe OE1 B:Glu122 2.78 Fe OE2 B:Glu122 3.95 Fe CD B:Glu122 3.74 Fe NE2 B:His313 2.28 Fe ND1 B:His313 4.26 Fe CD2 B:His313 3.02 Fe CE1 B:His313 3.29 Fe CG B:His313 4.17 Fe O B:Hoh1180 2.05 Fe O B:Hoh1181 3.73 Fe NE2 B:His120 2.58 Fe ND1 B:His120 4.06 Fe CD2 B:His120 3.93 Fe CE1 B:His120 2.75 Fe CG B:His120 4.65 Fe OE1 B:Glu122 2.78 Fe OE2 B:Glu122 3.95 Fe CD B:Glu122 3.74 Fe NE2 B:His313 2.28 Fe ND1 B:His313 4.26 Fe CD2 B:His313 3.02 Fe CE1 B:His313 3.29 Fe CG B:His313 4.17 Fe O B:Hoh1179 2.37 Fe O B:Hoh1180 2.05 Fe O B:Hoh1181 3.73 Fe O B:Hoh1190 4.29 interactive model: