Manganese in the structure of P450CAM From Pseudomonas Putida Reconstituted With Manganic Protoporphyrin IX (pdb 2feu)

The binding sites of Manganese atom in the structure of P450CAM From Pseudomonas Putida Reconstituted With Manganic Protoporphyrin IX (pdb code 2feu). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2feu structure was solved by K.VON KOENIG, T.M.MAKRIS, S.G.SLIGAR, I.SCHLICHTING, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.8-1.7 Space group P1211 a (A) 67.130 b (A) 62.230 c (A) 94.710 alpha (°) 90.00 beta (°) 90.64 gamma (°) 90.00 Rfactor (%) 21.4 Rfree (%) 23.8 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2feu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2feu. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Cys357, A: Leu358, A: Gly359, A: Mnr730, A: Cam1420, conact list: Atom Atom Distance (A) Mn CB A:Cys357 3.36 Mn SG A:Cys357 2.41 Mn C A:Cys357 4.66 Mn CA A:Cys357 4.00 Mn N A:Leu358 4.54 Mn N A:Gly359 4.45 Mn CA A:Gly359 4.92 Mn C2D A:Mnr730 4.33 Mn NC A:Mnr730 2.03 Mn CHB A:Mnr730 3.45 Mn CHC A:Mnr730 3.41 Mn C3D A:Mnr730 4.31 Mn NA A:Mnr730 2.01 Mn CHA A:Mnr730 3.41 Mn C2A A:Mnr730 4.29 Mn C1D A:Mnr730 3.09 Mn C4A A:Mnr730 3.06 Mn C4B A:Mnr730 3.06 Mn C3A A:Mnr730 4.30 Mn MN A:Mnr730 0.00 Mn C4C A:Mnr730 3.10 Mn C2B A:Mnr730 4.31 Mn C1C A:Mnr730 3.06 Mn C2C A:Mnr730 4.31 Mn ND A:Mnr730 2.02 Mn CHD A:Mnr730 3.47 Mn C1B A:Mnr730 3.07 Mn NB A:Mnr730 2.02 Mn C3C A:Mnr730 4.34 Mn C3B A:Mnr730 4.31 Mn C4D A:Mnr730 3.06 Mn C1A A:Mnr730 3.04 Mn C9 A:Cam1420 5.00 Mn C5 A:Cam1420 4.13 Mn C4 A:Cam1420 4.72 interactive model: Manganese binding site 2 out of 2 in 2feu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2feu. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Cys357, B: Leu358, B: Gly359, B: Mnr731, B: Cam1421, conact list: Atom Atom Distance (A) Mn CB B:Cys357 3.35 Mn SG B:Cys357 2.44 Mn C B:Cys357 4.65 Mn CA B:Cys357 3.99 Mn N B:Leu358 4.54 Mn N B:Gly359 4.47 Mn CA B:Gly359 4.97 Mn C2D B:Mnr731 4.32 Mn NC B:Mnr731 2.05 Mn CHB B:Mnr731 3.45 Mn CHC B:Mnr731 3.43 Mn C3D B:Mnr731 4.33 Mn NA B:Mnr731 2.05 Mn CHA B:Mnr731 3.43 Mn C2A B:Mnr731 4.35 Mn C1D B:Mnr731 3.08 Mn C4A B:Mnr731 3.10 Mn C4B B:Mnr731 3.08 Mn C3A B:Mnr731 4.36 Mn MN B:Mnr731 0.00 Mn C4C B:Mnr731 3.10 Mn C2B B:Mnr731 4.30 Mn C1C B:Mnr731 3.07 Mn C2C B:Mnr731 4.33 Mn ND B:Mnr731 2.04 Mn CHD B:Mnr731 3.46 Mn C1B B:Mnr731 3.07 Mn NB B:Mnr731 2.03 Mn C3C B:Mnr731 4.34 Mn C3B B:Mnr731 4.32 Mn C4D B:Mnr731 3.06 Mn C1A B:Mnr731 3.09 Mn C9 B:Cam1421 4.96 Mn C5 B:Cam1421 4.18 Mn C4 B:Cam1421 4.81 interactive model: