Iron in the structure of Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum (pdb 1moj)

The binding sites of Iron atom in the structure of Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum (pdb code 1moj). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1moj structure was solved by K.ZETH, S.OFFERMANN, L.O.ESSEN, D.OESTERHELT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.9-1.9 Space group P321 a (A) 90.747 b (A) 90.747 c (A) 149.410 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 14.7 Rfree (%) 18.2 Iron Binding Sites: Iron binding site 1 out of 6 in 1moj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1moj. 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: Asp79, A: Glu83, B: Lys49, B: His52, B: Trp53, B: His64, A: Hoh354, A: Hoh355, B: Hoh353, conact list: Atom Atom Distance (A) Fe O A:Asp79 4.94 Fe CB A:Asp79 4.22 Fe OD2 A:Asp79 2.22 Fe OD1 A:Asp79 2.57 Fe CG A:Asp79 2.72 Fe OE1 A:Glu83 1.97 Fe OE2 A:Glu83 3.59 Fe CD A:Glu83 2.99 Fe CG A:Glu83 4.06 Fe NZ B:Lys49 4.78 Fe NE2 B:His52 2.36 Fe ND1 B:His52 4.47 Fe CD2 B:His52 3.23 Fe CE1 B:His52 3.39 Fe CG B:His52 4.43 Fe CD1 B:Trp53 4.52 Fe NE1 B:Trp53 4.60 Fe NE2 B:His64 4.49 Fe CE1 B:His64 4.41 Fe O A:Hoh354 2.17 Fe O A:Hoh355 4.34 Fe O B:Hoh353 2.89 interactive model: Iron binding site 2 out of 6 in 1moj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1moj. 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: His150, A: Glu154, C: His150, C: Glu154, A: Hoh364, A: Hoh367, C: Hoh360, C: Hoh367, conact list: Atom Atom Distance (A) Fe NE2 A:His150 4.10 Fe CE1 A:His150 4.53 Fe OE1 A:Glu154 3.28 Fe OE2 A:Glu154 2.36 Fe CD A:Glu154 3.14 Fe CG A:Glu154 4.52 Fe NE2 C:His150 4.26 Fe CE1 C:His150 4.62 Fe OE1 C:Glu154 3.56 Fe OE2 C:Glu154 2.55 Fe CD C:Glu154 3.40 Fe CG C:Glu154 4.77 Fe O A:Hoh364 3.50 Fe O A:Hoh367 2.95 Fe O C:Hoh360 2.93 Fe O C:Hoh367 4.35 interactive model: Iron binding site 3 out of 6 in 1moj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1moj. 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: Lys49, A: His52, A: Trp53, A: His64, B: Asp79, B: Glu83, A: Hoh356, B: Hoh350, B: Hoh351, B: Hoh352, conact list: Atom Atom Distance (A) Fe NZ A:Lys49 4.75 Fe NE2 A:His52 2.32 Fe ND1 A:His52 4.43 Fe CD2 A:His52 3.24 Fe CE1 A:His52 3.34 Fe CG A:His52 4.42 Fe CD1 A:Trp53 4.62 Fe NE1 A:Trp53 4.70 Fe NE2 A:His64 4.47 Fe CE1 A:His64 4.41 Fe CB B:Asp79 4.25 Fe OD2 B:Asp79 2.23 Fe OD1 B:Asp79 2.62 Fe CG B:Asp79 2.76 Fe OE1 B:Glu83 2.04 Fe OE2 B:Glu83 3.68 Fe CD B:Glu83 3.08 Fe CG B:Glu83 4.16 Fe O A:Hoh356 4.82 Fe O B:Hoh350 2.05 Fe O B:Hoh351 2.47 Fe O B:Hoh352 4.68 interactive model: Iron binding site 4 out of 6 in 1moj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1moj. 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: His150, B: Glu154, B: Hoh362, B: Hoh378, conact list: Atom Atom Distance (A) Fe NE2 B:His150 4.34 Fe CE1 B:His150 4.75 Fe OE1 B:Glu154 3.39 Fe OE2 B:Glu154 2.54 Fe CD B:Glu154 3.30 Fe CG B:Glu154 4.69 Fe O B:Hoh362 2.97 Fe O B:Hoh378 4.12 interactive model: Iron binding site 5 out of 6 in 1moj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1moj. 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: Asp79, C: Glu83, D: Lys49, D: His52, D: Trp53, D: His64, C: Hoh351, C: Hoh352, C: Hoh384, D: Hoh346, conact list: Atom Atom Distance (A) Fe CB C:Asp79 4.29 Fe OD2 C:Asp79 2.38 Fe OD1 C:Asp79 2.57 Fe CG C:Asp79 2.80 Fe OE1 C:Glu83 2.08 Fe OE2 C:Glu83 3.79 Fe CD C:Glu83 3.16 Fe CG C:Glu83 4.20 Fe NZ D:Lys49 4.57 Fe NE2 D:His52 2.17 Fe ND1 D:His52 4.29 Fe CD2 D:His52 3.02 Fe CE1 D:His52 3.24 Fe CG D:His52 4.23 Fe CD1 D:Trp53 4.42 Fe NE1 D:Trp53 4.49 Fe NE2 D:His64 4.53 Fe CE1 D:His64 4.40 Fe O C:Hoh351 2.63 Fe O C:Hoh352 2.29 Fe O C:Hoh384 4.18 Fe O D:Hoh346 4.53 interactive model: Iron binding site 6 out of 6 in 1moj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 1moj. 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: Lys49, C: His52, C: Trp53, C: His64, D: Asp79, D: Glu83, C: Hoh386, D: Hoh347, D: Hoh348, D: Hoh349, conact list: Atom Atom Distance (A) Fe NZ C:Lys49 4.81 Fe NE2 C:His52 2.37 Fe ND1 C:His52 4.46 Fe CD2 C:His52 3.31 Fe CE1 C:His52 3.36 Fe CG C:His52 4.48 Fe CD1 C:Trp53 4.65 Fe NE1 C:Trp53 4.75 Fe NE2 C:His64 4.43 Fe CE1 C:His64 4.39 Fe O D:Asp79 4.96 Fe CB D:Asp79 4.25 Fe OD2 D:Asp79 2.22 Fe OD1 D:Asp79 2.61 Fe CG D:Asp79 2.75 Fe OE1 D:Glu83 1.97 Fe OE2 D:Glu83 3.60 Fe CD D:Glu83 3.01 Fe CG D:Glu83 4.11 Fe O C:Hoh386 3.87 Fe O D:Hoh347 2.45 Fe O D:Hoh348 2.54 Fe O D:Hoh349 4.92 interactive model: