Iron in the structure of X-Ray Structure of Dps From Mycobacterium Smegmatis (pdb 1uvh)

The binding sites of Iron atom in the structure of X-Ray Structure of Dps From Mycobacterium Smegmatis (pdb code 1uvh). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1uvh structure was solved by A.ILARI, P.CECI, E.FALVO, E.CHIANCONE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-2.8 Space group H32 a (A) 124.300 b (A) 124.300 c (A) 304.650 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 26 Rfree (%) 34 Iron Binding Sites: Iron binding site 1 out of 4 in 1uvh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1uvh. 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: Asp66, A: Glu70, B: Lys36, B: His39, B: Trp40, B: His51, B: Asp55, B: Hoh2002, conact list: Atom Atom Distance (A) Fe O A:Asp66 4.74 Fe CB A:Asp66 3.30 Fe OD2 A:Asp66 1.22 Fe C A:Asp66 4.71 Fe OD1 A:Asp66 3.48 Fe CG A:Asp66 2.45 Fe CA A:Asp66 4.24 Fe OE1 A:Glu70 1.22 Fe CB A:Glu70 4.72 Fe OE2 A:Glu70 3.41 Fe CD A:Glu70 2.41 Fe CG A:Glu70 3.20 Fe CE B:Lys36 4.56 Fe NZ B:Lys36 3.82 Fe NE2 B:His39 2.84 Fe ND1 B:His39 4.43 Fe CD2 B:His39 3.98 Fe CE1 B:His39 3.23 Fe CG B:His39 4.82 Fe CE3 B:Trp40 4.41 Fe NE2 B:His51 4.48 Fe OD2 B:Asp55 4.50 Fe O B:Hoh2002 3.51 interactive model: Iron binding site 2 out of 4 in 1uvh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1uvh. 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: Lys36, A: His39, A: Trp40, A: His51, A: Asp55, B: Asp66, B: Glu70, conact list: Atom Atom Distance (A) Fe CE A:Lys36 4.97 Fe NZ A:Lys36 3.81 Fe NE2 A:His39 1.95 Fe ND1 A:His39 3.89 Fe CD2 A:His39 3.18 Fe CE1 A:His39 2.65 Fe CG A:His39 4.16 Fe CB A:Trp40 4.86 Fe CE3 A:Trp40 4.08 Fe CZ3 A:Trp40 4.77 Fe NE2 A:His51 4.28 Fe OD2 A:Asp55 4.69 Fe OD1 A:Asp55 4.95 Fe O B:Asp66 4.62 Fe CB B:Asp66 3.69 Fe OD2 B:Asp66 1.40 Fe C B:Asp66 4.81 Fe OD1 B:Asp66 3.34 Fe CG B:Asp66 2.57 Fe CA B:Asp66 4.42 Fe OE1 B:Glu70 1.27 Fe CB B:Glu70 4.71 Fe OE2 B:Glu70 3.48 Fe CD B:Glu70 2.45 Fe CG B:Glu70 3.23 interactive model: Iron binding site 3 out of 4 in 1uvh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1uvh. 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: Asp66, C: Glu70, D: His39, D: Trp40, D: His51, conact list: Atom Atom Distance (A) Fe O C:Asp66 4.58 Fe CB C:Asp66 3.69 Fe OD2 C:Asp66 1.31 Fe C C:Asp66 4.79 Fe OD1 C:Asp66 3.12 Fe CG C:Asp66 2.45 Fe CA C:Asp66 4.52 Fe OE1 C:Glu70 1.21 Fe CB C:Glu70 4.60 Fe OE2 C:Glu70 3.22 Fe CD C:Glu70 2.29 Fe CG C:Glu70 3.17 Fe NE2 D:His39 3.12 Fe ND1 D:His39 4.50 Fe CD2 D:His39 4.18 Fe CE1 D:His39 3.40 Fe CG D:His39 4.91 Fe CE3 D:Trp40 4.52 Fe NE2 D:His51 4.34 Fe CE1 D:His51 4.26 interactive model: Iron binding site 4 out of 4 in 1uvh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1uvh. 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: Lys36, C: His39, C: Trp40, C: His51, C: Asp55, D: Asp66, D: Glu70, conact list: Atom Atom Distance (A) Fe CE C:Lys36 4.59 Fe NZ C:Lys36 3.95 Fe NE2 C:His39 2.98 Fe CD2 C:His39 3.99 Fe CE1 C:His39 3.83 Fe CE3 C:Trp40 4.64 Fe NE2 C:His51 4.87 Fe CE1 C:His51 4.61 Fe OD2 C:Asp55 4.63 Fe O D:Asp66 4.50 Fe CB D:Asp66 3.41 Fe OD2 D:Asp66 1.30 Fe C D:Asp66 4.63 Fe OD1 D:Asp66 3.54 Fe CG D:Asp66 2.54 Fe CA D:Asp66 4.29 Fe OE1 D:Glu70 1.30 Fe CB D:Glu70 4.71 Fe OE2 D:Glu70 3.37 Fe CD D:Glu70 2.44 Fe CG D:Glu70 3.35 interactive model: