Iron in the structure of Crystal Structure of Lactococcus Lactis Dihydroorotate Dehydrogenase B Complexed With Orotate (pdb 1ep2)

The binding sites of Iron atom in the structure of Crystal Structure of Lactococcus Lactis Dihydroorotate Dehydrogenase B Complexed With Orotate (pdb code 1ep2). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1ep2 structure was solved by P.ROWLAND, S.NORAGER, K.F.JENSEN, S.LARSEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 38.5-2.4 Space group H32 a (A) 202.420 b (A) 202.420 c (A) 80.880 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19 Rfree (%) 24.1 Iron Binding Sites: Iron binding site 1 out of 2 in 1ep2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1ep2. 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: Ala225, B: Cys226, B: Gly227, B: Ile228, B: Gly229, B: Ala230, B: Cys231, B: Tyr232, B: Ala233, B: Cys234, B: Cys249, B: Fes504, conact list: Atom Atom Distance (A) Fe N B:Ala225 4.59 Fe C B:Ala225 4.67 Fe CB B:Ala225 4.95 Fe CA B:Ala225 5.00 Fe N B:Cys226 3.60 Fe CB B:Cys226 3.45 Fe SG B:Cys226 2.26 Fe C B:Cys226 4.24 Fe CA B:Cys226 3.91 Fe N B:Gly227 3.66 Fe CA B:Gly227 4.63 Fe N B:Ile228 4.62 Fe N B:Gly229 4.18 Fe C B:Gly229 4.57 Fe CA B:Gly229 4.47 Fe N B:Ala230 4.15 Fe C B:Ala230 4.58 Fe CA B:Ala230 4.91 Fe N B:Cys231 3.46 Fe CB B:Cys231 3.36 Fe SG B:Cys231 2.27 Fe C B:Cys231 4.19 Fe CA B:Cys231 3.80 Fe N B:Tyr232 3.84 Fe CA B:Tyr232 4.86 Fe N B:Ala233 4.28 Fe CB B:Ala233 4.60 Fe SG B:Cys234 4.70 Fe SG B:Cys249 4.20 Fe S1 B:Fes504 2.28 Fe S2 B:Fes504 2.22 Fe FE1 B:Fes504 0.00 Fe FE2 B:Fes504 2.75 interactive model: Iron binding site 2 out of 2 in 1ep2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1ep2. 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: Met224, B: Cys226, B: Gly227, B: Ile228, B: Gly229, B: Cys231, B: Tyr232, B: Ala233, B: Cys234, B: Lys247, B: Cys249, B: Fes504, conact list: Atom Atom Distance (A) Fe CG B:Met224 4.90 Fe SG B:Cys226 4.45 Fe N B:Gly227 4.55 Fe C B:Gly227 4.96 Fe CA B:Gly227 4.75 Fe N B:Ile228 4.95 Fe N B:Gly229 4.23 Fe CA B:Gly229 4.33 Fe SG B:Cys231 4.51 Fe N B:Tyr232 4.99 Fe N B:Ala233 4.73 Fe O B:Cys234 4.96 Fe N B:Cys234 4.04 Fe CB B:Cys234 3.40 Fe SG B:Cys234 2.21 Fe C B:Cys234 4.88 Fe CA B:Cys234 4.33 Fe CB B:Lys247 4.57 Fe CD B:Lys247 4.95 Fe CG B:Lys247 4.70 Fe N B:Cys249 4.29 Fe CB B:Cys249 3.35 Fe SG B:Cys249 2.25 Fe CA B:Cys249 4.43 Fe S1 B:Fes504 2.28 Fe S2 B:Fes504 2.27 Fe FE1 B:Fes504 2.75 Fe FE2 B:Fes504 0.00 interactive model: