Iron in the structure of Crystal Structure of the Uncharacterized Protein Q2CBJ1_9RHOB From Oceanicola Granulosus HTCC2516 (pdb 2rg4)

The binding sites of Iron atom in the structure of Crystal Structure of the Uncharacterized Protein Q2CBJ1_9RHOB From Oceanicola Granulosus HTCC2516 (pdb code 2rg4). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2rg4 structure was solved by V.N.MALASHKEVICH, R.TORO, A.J.MEYER, J.M.SAUDER, S.K.BURLEY, S.C.ALMO, NEWYORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.4-1.9 Space group P43212 a (A) 69.476 b (A) 69.476 c (A) 164.660 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.7 Rfree (%) 27.7 Iron Binding Sites: Iron binding site 1 out of 2 in 2rg4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2rg4. 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: His119, A: His121, A: Trp181, A: His187, A: Hoh264, A: Hoh279, A: Hoh292, A: Hoh294, A: Hoh313, A: Hoh410, A: Hoh414, conact list: Atom Atom Distance (A) Fe NE2 A:His119 2.06 Fe ND1 A:His119 3.76 Fe CD2 A:His119 3.31 Fe CE1 A:His119 2.54 Fe CG A:His119 4.15 Fe NE2 A:His121 2.19 Fe ND1 A:His121 4.20 Fe CD2 A:His121 3.28 Fe CE1 A:His121 3.03 Fe CG A:His121 4.36 Fe CZ2 A:Trp181 4.86 Fe NE2 A:His187 2.24 Fe ND1 A:His187 4.23 Fe CD2 A:His187 3.29 Fe CE1 A:His187 3.07 Fe CG A:His187 4.37 Fe O A:Hoh264 4.92 Fe O A:Hoh279 4.58 Fe O A:Hoh292 2.29 Fe O A:Hoh294 2.45 Fe O A:Hoh313 4.14 Fe O A:Hoh410 4.12 Fe O A:Hoh414 2.52 interactive model: Iron binding site 2 out of 2 in 2rg4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2rg4. 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: His116, B: His119, B: His121, B: Trp181, B: His187, B: Hoh243, B: Hoh244, B: Hoh245, B: Hoh367, conact list: Atom Atom Distance (A) Fe CE1 B:His116 4.68 Fe NE2 B:His119 2.32 Fe ND1 B:His119 4.20 Fe CD2 B:His119 3.42 Fe CE1 B:His119 3.04 Fe CG B:His119 4.42 Fe NE2 B:His121 2.26 Fe ND1 B:His121 4.21 Fe CD2 B:His121 3.27 Fe CE1 B:His121 3.09 Fe CG B:His121 4.32 Fe CZ2 B:Trp181 4.52 Fe NE2 B:His187 2.22 Fe ND1 B:His187 4.27 Fe CD2 B:His187 3.20 Fe CE1 B:His187 3.15 Fe CG B:His187 4.33 Fe O B:Hoh243 4.04 Fe O B:Hoh244 3.46 Fe O B:Hoh245 2.59 Fe O B:Hoh367 2.42 interactive model: