Iron in the structure of G152A Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. (pdb 1gn6)

The binding sites of Iron atom in the structure of G152A Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. (pdb code 1gn6). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1gn6 structure was solved by K.A.BUNTING, J.B.COOPER, S.SAWARD, P.T.ERSKINE, M.O.BADASSO, S.P.WOOD, Y.ZHANG, D.B.YOUNG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.9 Space group P1211 a (A) 68.700 b (A) 85.600 c (A) 66.700 alpha (°) 90.00 beta (°) 99.80 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Iron Binding Sites: Iron binding site 1 out of 4 in 1gn6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1gn6. 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: His28, A: His76, A: Trp125, A: Asp160, A: Trp162, A: His164, A: Ala165, A: Hoh2037, conact list: Atom Atom Distance (A) Fe NE2 A:His28 2.22 Fe ND1 A:His28 4.28 Fe CD2 A:His28 3.20 Fe CE1 A:His28 3.16 Fe CG A:His28 4.32 Fe NE2 A:His76 2.19 Fe ND1 A:His76 4.24 Fe CD2 A:His76 3.26 Fe CE1 A:His76 3.08 Fe CG A:His76 4.36 Fe CZ2 A:Trp125 4.64 Fe CH2 A:Trp125 4.81 Fe CB A:Asp160 4.32 Fe OD2 A:Asp160 2.00 Fe OD1 A:Asp160 3.32 Fe CG A:Asp160 2.98 Fe CB A:Trp162 4.56 Fe CG A:Trp162 4.84 Fe NE2 A:His164 2.10 Fe ND1 A:His164 4.19 Fe CD2 A:His164 3.13 Fe CE1 A:His164 3.05 Fe CG A:His164 4.26 Fe CB A:Ala165 4.91 Fe O A:Hoh2037 1.88 interactive model: Iron binding site 2 out of 4 in 1gn6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1gn6. 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: His28, B: His76, B: Trp125, B: Asp160, B: Trp162, B: His164, B: Ala165, B: Hoh2038, conact list: Atom Atom Distance (A) Fe NE2 B:His28 2.22 Fe ND1 B:His28 4.28 Fe CD2 B:His28 3.20 Fe CE1 B:His28 3.16 Fe CG B:His28 4.32 Fe NE2 B:His76 2.19 Fe ND1 B:His76 4.24 Fe CD2 B:His76 3.26 Fe CE1 B:His76 3.08 Fe CG B:His76 4.36 Fe CZ2 B:Trp125 4.64 Fe CH2 B:Trp125 4.81 Fe CB B:Asp160 4.32 Fe OD2 B:Asp160 2.00 Fe OD1 B:Asp160 3.32 Fe CG B:Asp160 2.98 Fe CB B:Trp162 4.56 Fe CG B:Trp162 4.84 Fe NE2 B:His164 2.10 Fe ND1 B:His164 4.19 Fe CD2 B:His164 3.13 Fe CE1 B:His164 3.05 Fe CG B:His164 4.26 Fe CB B:Ala165 4.91 Fe O B:Hoh2038 1.88 interactive model: Iron binding site 3 out of 4 in 1gn6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1gn6. 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: His28, C: His76, C: Trp125, C: Asp160, C: Trp162, C: His164, C: Ala165, C: Hoh2038, conact list: Atom Atom Distance (A) Fe NE2 C:His28 2.22 Fe ND1 C:His28 4.28 Fe CD2 C:His28 3.20 Fe CE1 C:His28 3.16 Fe CG C:His28 4.32 Fe NE2 C:His76 2.19 Fe ND1 C:His76 4.24 Fe CD2 C:His76 3.26 Fe CE1 C:His76 3.08 Fe CG C:His76 4.36 Fe CZ2 C:Trp125 4.64 Fe CH2 C:Trp125 4.81 Fe CB C:Asp160 4.32 Fe OD2 C:Asp160 2.00 Fe OD1 C:Asp160 3.32 Fe CG C:Asp160 2.99 Fe CB C:Trp162 4.56 Fe CG C:Trp162 4.84 Fe NE2 C:His164 2.10 Fe ND1 C:His164 4.19 Fe CD2 C:His164 3.13 Fe CE1 C:His164 3.05 Fe CG C:His164 4.26 Fe CB C:Ala165 4.91 Fe O C:Hoh2038 1.88 interactive model: Iron binding site 4 out of 4 in 1gn6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1gn6. 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: D: His28, D: His76, D: Trp125, D: Asp160, D: Trp162, D: His164, D: Ala165, D: Hoh2039, conact list: Atom Atom Distance (A) Fe NE2 D:His28 2.22 Fe ND1 D:His28 4.28 Fe CD2 D:His28 3.20 Fe CE1 D:His28 3.16 Fe CG D:His28 4.32 Fe NE2 D:His76 2.19 Fe ND1 D:His76 4.24 Fe CD2 D:His76 3.26 Fe CE1 D:His76 3.08 Fe CG D:His76 4.36 Fe CZ2 D:Trp125 4.64 Fe CH2 D:Trp125 4.81 Fe CB D:Asp160 4.32 Fe OD2 D:Asp160 2.00 Fe OD1 D:Asp160 3.32 Fe CG D:Asp160 2.99 Fe CB D:Trp162 4.56 Fe CG D:Trp162 4.84 Fe NE2 D:His164 2.10 Fe ND1 D:His164 4.19 Fe CD2 D:His164 3.13 Fe CE1 D:His164 3.05 Fe CG D:His164 4.26 Fe CB D:Ala165 4.91 Fe O D:Hoh2039 1.88 interactive model: