Iron in the structure of Crystal Structure of Blastochloris Viridis Heterodimer Mutant Reaction Center (pdb 3g7f)

The binding sites of Iron atom in the structure of Crystal Structure of Blastochloris Viridis Heterodimer Mutant Reaction Center (pdb code 3g7f). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3g7f structure was solved by N.S.PONOMARENKO, L.LI, V.TERESHKO, R.F.ISMAGILOV, J.R.NORRIS JR., with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.5 Space group P43212 a (A) 220.132 b (A) 220.132 c (A) 112.744 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.6 Rfree (%) 20.6 Iron Binding Sites: Iron binding site 1 out of 5 in 3g7f Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3g7f. 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: Met74, C: His91, C: Hec401, conact list: Atom Atom Distance (A) Fe CB C:Met74 4.23 Fe CE C:Met74 3.38 Fe CG C:Met74 3.49 Fe SD C:Met74 2.22 Fe NE2 C:His91 2.03 Fe ND1 C:His91 4.15 Fe CD2 C:His91 2.92 Fe CE1 C:His91 3.09 Fe CG C:His91 4.11 Fe C2D C:Hec401 4.29 Fe NC C:Hec401 2.05 Fe CHB C:Hec401 3.39 Fe CHC C:Hec401 3.43 Fe C3D C:Hec401 4.31 Fe NA C:Hec401 2.03 Fe CHA C:Hec401 3.46 Fe C2A C:Hec401 4.29 Fe C1D C:Hec401 3.06 Fe C4A C:Hec401 3.03 Fe C4B C:Hec401 3.06 Fe C3A C:Hec401 4.25 Fe C4C C:Hec401 3.08 Fe C2B C:Hec401 4.27 Fe C1C C:Hec401 3.06 Fe C2C C:Hec401 4.29 Fe ND C:Hec401 2.07 Fe CHD C:Hec401 3.43 Fe C1B C:Hec401 3.04 Fe NB C:Hec401 2.05 Fe FE C:Hec401 0.00 Fe C3C C:Hec401 4.30 Fe C3B C:Hec401 4.28 Fe C4D C:Hec401 3.09 Fe C1A C:Hec401 3.08 interactive model: Iron binding site 2 out of 5 in 3g7f Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3g7f. 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: Met110, C: His136, C: Hec402, conact list: Atom Atom Distance (A) Fe CB C:Met110 4.19 Fe CE C:Met110 3.20 Fe CG C:Met110 3.35 Fe SD C:Met110 2.24 Fe NE2 C:His136 2.01 Fe ND1 C:His136 4.02 Fe CD2 C:His136 3.13 Fe CE1 C:His136 2.84 Fe CG C:His136 4.19 Fe C2D C:Hec402 4.28 Fe NC C:Hec402 2.09 Fe CHB C:Hec402 3.43 Fe CHC C:Hec402 3.43 Fe C3D C:Hec402 4.27 Fe NA C:Hec402 2.05 Fe CHA C:Hec402 3.41 Fe C2A C:Hec402 4.30 Fe C1D C:Hec402 3.06 Fe C4A C:Hec402 3.07 Fe C4B C:Hec402 3.06 Fe C3A C:Hec402 4.30 Fe C4C C:Hec402 3.12 Fe C2B C:Hec402 4.28 Fe C1C C:Hec402 3.10 Fe C2C C:Hec402 4.34 Fe ND C:Hec402 2.03 Fe CHD C:Hec402 3.45 Fe C1B C:Hec402 3.06 Fe NB C:Hec402 2.03 Fe FE C:Hec402 0.00 Fe C3C C:Hec402 4.35 Fe C3B C:Hec402 4.29 Fe C4D C:Hec402 3.04 Fe C1A C:Hec402 3.06 interactive model: Iron binding site 3 out of 5 in 3g7f Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 3g7f. 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: Met233, C: His248, C: Hec403, conact list: Atom Atom Distance (A) Fe CB C:Met233 4.24 Fe CE C:Met233 3.43 Fe CG C:Met233 3.33 Fe SD C:Met233 2.25 Fe NE2 C:His248 2.04 Fe ND1 C:His248 4.11 Fe CD2 C:His248 2.93 Fe CE1 C:His248 3.06 Fe CG C:His248 4.09 Fe C2D C:Hec403 4.31 Fe NC C:Hec403 2.09 Fe CHB C:Hec403 3.36 Fe CHC C:Hec403 3.42 Fe C3D C:Hec403 4.30 Fe NA C:Hec403 2.03 Fe CHA C:Hec403 3.41 Fe C2A C:Hec403 4.28 Fe C1D C:Hec403 3.11 Fe C4A C:Hec403 3.03 Fe C4B C:Hec403 3.04 Fe C3A C:Hec403 4.27 Fe C4C C:Hec403 3.14 Fe C2B C:Hec403 4.22 Fe C1C C:Hec403 3.09 Fe C2C C:Hec403 4.34 Fe ND C:Hec403 2.07 Fe CHD C:Hec403 3.50 Fe C1B C:Hec403 2.99 Fe NB C:Hec403 2.01 Fe FE C:Hec403 0.00 Fe C3C C:Hec403 4.37 Fe C3B C:Hec403 4.25 Fe C4D C:Hec403 3.06 Fe C1A C:Hec403 3.05 interactive model: Iron binding site 4 out of 5 in 3g7f Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 3g7f. 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: His124, C: His309, C: Pro315, C: Hec404, conact list: Atom Atom Distance (A) Fe NE2 C:His124 2.02 Fe ND1 C:His124 4.04 Fe CD2 C:His124 3.09 Fe CE1 C:His124 2.90 Fe CG C:His124 4.16 Fe NE2 C:His309 2.04 Fe ND1 C:His309 3.96 Fe CD2 C:His309 3.27 Fe CE1 C:His309 2.72 Fe CG C:His309 4.24 Fe CD C:Pro315 4.96 Fe CG C:Pro315 4.92 Fe C2D C:Hec404 4.25 Fe NC C:Hec404 2.05 Fe CHB C:Hec404 3.45 Fe CHC C:Hec404 3.42 Fe C3D C:Hec404 4.23 Fe NA C:Hec404 2.04 Fe CHA C:Hec404 3.39 Fe C2A C:Hec404 4.29 Fe C1D C:Hec404 3.04 Fe C4A C:Hec404 3.08 Fe C4B C:Hec404 3.06 Fe C3A C:Hec404 4.30 Fe C4C C:Hec404 3.09 Fe C2B C:Hec404 4.30 Fe C1C C:Hec404 3.07 Fe C2C C:Hec404 4.30 Fe ND C:Hec404 2.01 Fe CHD C:Hec404 3.44 Fe C1B C:Hec404 3.07 Fe NB C:Hec404 2.04 Fe FE C:Hec404 0.00 Fe C3C C:Hec404 4.32 Fe C3B C:Hec404 4.30 Fe C4D C:Hec404 3.01 Fe C1A C:Hec404 3.05 interactive model: Iron binding site 5 out of 5 in 3g7f Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 3g7f. 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: L: His190, L: Ile194, L: His230, M: His217, M: Ile221, M: Glu232, M: His264, M: Hoh717, conact list: Atom Atom Distance (A) Fe NE2 L:His190 2.06 Fe ND1 L:His190 4.00 Fe CD2 L:His190 3.27 Fe CE1 L:His190 2.77 Fe CG L:His190 4.26 Fe CG1 L:Ile194 4.75 Fe NE2 L:His230 2.11 Fe ND1 L:His230 4.18 Fe CD2 L:His230 3.15 Fe CE1 L:His230 3.04 Fe CG L:His230 4.27 Fe NE2 M:His217 2.06 Fe ND1 M:His217 4.09 Fe CD2 M:His217 3.16 Fe CE1 M:His217 2.92 Fe CG M:His217 4.24 Fe CG1 M:Ile221 4.45 Fe OE1 M:Glu232 2.53 Fe OE2 M:Glu232 2.03 Fe CD M:Glu232 2.61 Fe CG M:Glu232 4.12 Fe NE2 M:His264 2.11 Fe ND1 M:His264 4.16 Fe CD2 M:His264 3.17 Fe CE1 M:His264 3.00 Fe CG M:His264 4.27 Fe O M:Hoh717 4.93 interactive model: