Iron in the structure of Gsh-Heme Bound Microsomal Prostaglandin E Synthase (pdb 2pbj)

The binding sites of Iron atom in the structure of Gsh-Heme Bound Microsomal Prostaglandin E Synthase (pdb code 2pbj). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2pbj structure was solved by F.TAKUSAGAWA, T.YAMADA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.8 Space group C121 a (A) 127.000 b (A) 122.490 c (A) 110.970 alpha (°) 90.00 beta (°) 111.00 gamma (°) 90.00 Rfactor (%) 24.2 Rfree (%) 26.9 Iron Binding Sites: Iron binding site 1 out of 4 in 2pbj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2pbj. 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: Hem476, A: Gsh477, conact list: Atom Atom Distance (A) Fe C2D A:Hem476 4.25 Fe NC A:Hem476 1.95 Fe CHB A:Hem476 3.38 Fe CHC A:Hem476 3.37 Fe C3D A:Hem476 4.25 Fe NA A:Hem476 1.95 Fe CHA A:Hem476 3.38 Fe C2A A:Hem476 4.23 Fe C1D A:Hem476 2.96 Fe C4A A:Hem476 3.02 Fe C4B A:Hem476 2.99 Fe C3A A:Hem476 4.23 Fe C4C A:Hem476 3.01 Fe C2B A:Hem476 4.24 Fe C1C A:Hem476 3.00 Fe C2C A:Hem476 4.21 Fe ND A:Hem476 1.95 Fe CHD A:Hem476 3.38 Fe C1B A:Hem476 2.99 Fe NB A:Hem476 1.97 Fe FE A:Hem476 0.00 Fe C3C A:Hem476 4.24 Fe C3B A:Hem476 4.28 Fe C4D A:Hem476 2.97 Fe C1A A:Hem476 3.02 Fe CA2 A:Gsh477 4.37 Fe SG2 A:Gsh477 2.65 Fe CB2 A:Gsh477 3.62 interactive model: Iron binding site 2 out of 4 in 2pbj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2pbj. 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: Hem476, B: Gsh477, conact list: Atom Atom Distance (A) Fe C2D B:Hem476 4.26 Fe NC B:Hem476 1.94 Fe CHB B:Hem476 3.40 Fe CHC B:Hem476 3.34 Fe C3D B:Hem476 4.28 Fe NA B:Hem476 1.98 Fe CHA B:Hem476 3.42 Fe C2A B:Hem476 4.25 Fe C1D B:Hem476 2.98 Fe C4A B:Hem476 3.04 Fe C4B B:Hem476 2.97 Fe C3A B:Hem476 4.25 Fe C4C B:Hem476 3.00 Fe C2B B:Hem476 4.23 Fe C1C B:Hem476 2.98 Fe C2C B:Hem476 4.19 Fe ND B:Hem476 1.97 Fe CHD B:Hem476 3.39 Fe C1B B:Hem476 2.99 Fe NB B:Hem476 1.96 Fe FE B:Hem476 0.00 Fe C3C B:Hem476 4.22 Fe C3B B:Hem476 4.26 Fe C4D B:Hem476 3.01 Fe C1A B:Hem476 3.05 Fe CA2 B:Gsh477 4.38 Fe SG2 B:Gsh477 2.60 Fe CB2 B:Gsh477 3.62 interactive model: Iron binding site 3 out of 4 in 2pbj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2pbj. 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: Hem476, C: Gsh477, conact list: Atom Atom Distance (A) Fe C2D C:Hem476 4.26 Fe NC C:Hem476 1.96 Fe CHB C:Hem476 3.37 Fe CHC C:Hem476 3.36 Fe C3D C:Hem476 4.26 Fe NA C:Hem476 1.94 Fe CHA C:Hem476 3.38 Fe C2A C:Hem476 4.22 Fe C1D C:Hem476 2.98 Fe C4A C:Hem476 3.01 Fe C4B C:Hem476 2.99 Fe C3A C:Hem476 4.22 Fe C4C C:Hem476 3.01 Fe C2B C:Hem476 4.22 Fe C1C C:Hem476 3.00 Fe C2C C:Hem476 4.22 Fe ND C:Hem476 1.96 Fe CHD C:Hem476 3.39 Fe C1B C:Hem476 2.98 Fe NB C:Hem476 1.96 Fe FE C:Hem476 0.00 Fe C3C C:Hem476 4.24 Fe C3B C:Hem476 4.27 Fe C4D C:Hem476 2.98 Fe C1A C:Hem476 3.01 Fe CA2 C:Gsh477 4.40 Fe SG2 C:Gsh477 2.67 Fe CB2 C:Gsh477 3.64 interactive model: Iron binding site 4 out of 4 in 2pbj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2pbj. 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: Hem476, D: Gsh477, conact list: Atom Atom Distance (A) Fe C2D D:Hem476 4.25 Fe NC D:Hem476 1.96 Fe CHB D:Hem476 3.38 Fe CHC D:Hem476 3.36 Fe C3D D:Hem476 4.24 Fe NA D:Hem476 1.95 Fe CHA D:Hem476 3.37 Fe C2A D:Hem476 4.21 Fe C1D D:Hem476 2.97 Fe C4A D:Hem476 3.01 Fe C4B D:Hem476 2.98 Fe C3A D:Hem476 4.22 Fe C4C D:Hem476 3.02 Fe C2B D:Hem476 4.23 Fe C1C D:Hem476 3.00 Fe C2C D:Hem476 4.23 Fe ND D:Hem476 1.96 Fe CHD D:Hem476 3.39 Fe C1B D:Hem476 2.99 Fe NB D:Hem476 1.97 Fe FE D:Hem476 0.00 Fe C3C D:Hem476 4.25 Fe C3B D:Hem476 4.27 Fe C4D D:Hem476 2.97 Fe C1A D:Hem476 3.01 Fe CA2 D:Gsh477 4.42 Fe SG2 D:Gsh477 2.73 Fe CB2 D:Gsh477 3.67 interactive model: