Iron in the structure of X-Ray Structure of Nitric Oxide Reductase (Cytochrome P450NOR) in the Ferric Resting State At Atomic Resolution (pdb 1jfb)

The binding sites of Iron atom in the structure of X-Ray Structure of Nitric Oxide Reductase (Cytochrome P450NOR) in the Ferric Resting State At Atomic Resolution (pdb code 1jfb). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1jfb structure was solved by H.SHIMIZU, S.ADACHI, S.Y.PARK, Y.SHIRO, RIKEN STRUCTURALGENOMICS/PROTEOMICS INITIATIVE (RSGI), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.0 Space group P212121 a (A) 54.661 b (A) 82.132 c (A) 85.843 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 10.2 Rfree (%) 13.9 Iron Binding Sites: Iron binding site 1 out of 2 in 1jfb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1jfb. 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: Ala239, A: Gly240, A: Phe345, A: Cys352, A: Ile353, A: Ala354, A: Hem501, A: Hoh727, A: Hoh879, A: Hoh1022, A: Hoh1560, A: Hoh1594, conact list: Atom Atom Distance (A) Fe O A:Ala239 4.98 Fe HB2 A:Ala239 4.70 Fe HB3 A:Ala239 4.96 Fe HA2 A:Gly240 4.29 Fe CA A:Gly240 4.69 Fe HA3 A:Gly240 4.19 Fe HD1 A:Phe345 4.16 Fe HB2 A:Cys352 3.22 Fe CB A:Cys352 3.39 Fe HB3 A:Cys352 4.15 Fe HA A:Cys352 3.83 Fe SG A:Cys352 2.33 Fe C A:Cys352 4.94 Fe CA A:Cys352 4.19 Fe H A:Ile353 4.73 Fe HB3 A:Ala354 4.12 Fe H A:Ala354 4.32 Fe C2D A:Hem501 4.27 Fe C2D A:Hem501 4.30 Fe NA A:Hem501 2.02 Fe NA A:Hem501 2.01 Fe CHA A:Hem501 3.42 Fe CHA A:Hem501 3.42 Fe C2A A:Hem501 4.29 Fe C2A A:Hem501 4.30 Fe C1D A:Hem501 3.04 Fe C1D A:Hem501 3.07 Fe C4A A:Hem501 3.07 Fe C4A A:Hem501 3.05 Fe C4B A:Hem501 3.05 Fe C4B A:Hem501 3.04 Fe C3A A:Hem501 4.30 Fe C3A A:Hem501 4.27 Fe HHA A:Hem501 4.34 Fe HHA A:Hem501 4.35 Fe C1C A:Hem501 3.04 Fe C1C A:Hem501 3.06 Fe C2C A:Hem501 4.30 Fe C2C A:Hem501 4.29 Fe NB A:Hem501 2.02 Fe NB A:Hem501 2.01 Fe HHC A:Hem501 4.34 Fe HHC A:Hem501 4.35 Fe FE A:Hem501 0.00 Fe FE A:Hem501 0.00 Fe C3B A:Hem501 4.31 Fe C3B A:Hem501 4.30 Fe C4D A:Hem501 3.03 Fe C4D A:Hem501 3.05 Fe NC A:Hem501 2.01 Fe NC A:Hem501 2.01 Fe CHB A:Hem501 3.42 Fe CHB A:Hem501 3.39 Fe CHC A:Hem501 3.41 Fe CHC A:Hem501 3.42 Fe C3D A:Hem501 4.30 Fe C3D A:Hem501 4.30 Fe C4C A:Hem501 3.03 Fe C4C A:Hem501 3.07 Fe C2B A:Hem501 4.32 Fe C2B A:Hem501 4.29 Fe HHB A:Hem501 4.35 Fe HHB A:Hem501 4.32 Fe ND A:Hem501 2.00 Fe ND A:Hem501 2.01 Fe CHD A:Hem501 3.40 Fe CHD A:Hem501 3.42 Fe C1B A:Hem501 3.08 Fe C1B A:Hem501 3.05 Fe HHD A:Hem501 4.33 Fe HHD A:Hem501 4.35 Fe C3C A:Hem501 4.29 Fe C3C A:Hem501 4.31 Fe C1A A:Hem501 3.06 Fe C1A A:Hem501 3.02 Fe O A:Hoh727 2.07 Fe O A:Hoh879 3.51 Fe O A:Hoh1022 4.68 Fe O A:Hoh1560 4.43 Fe O A:Hoh1594 4.97 interactive model: Iron binding site 2 out of 2 in 1jfb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1jfb. 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: Ala239, A: Gly240, A: Phe345, A: Cys352, A: Ile353, A: Ala354, A: Hem501, A: Hoh727, A: Hoh879, A: Hoh1022, A: Hoh1560, A: Hoh1594, conact list: Atom Atom Distance (A) Fe O A:Ala239 4.98 Fe HB2 A:Ala239 4.70 Fe HB3 A:Ala239 4.96 Fe HA2 A:Gly240 4.29 Fe CA A:Gly240 4.69 Fe HA3 A:Gly240 4.19 Fe HD1 A:Phe345 4.16 Fe HB2 A:Cys352 3.22 Fe CB A:Cys352 3.39 Fe HB3 A:Cys352 4.15 Fe HA A:Cys352 3.83 Fe SG A:Cys352 2.33 Fe C A:Cys352 4.94 Fe CA A:Cys352 4.19 Fe H A:Ile353 4.72 Fe HB3 A:Ala354 4.12 Fe H A:Ala354 4.32 Fe C2D A:Hem501 4.27 Fe C2D A:Hem501 4.30 Fe NA A:Hem501 2.02 Fe NA A:Hem501 2.01 Fe CHA A:Hem501 3.42 Fe CHA A:Hem501 3.43 Fe C2A A:Hem501 4.30 Fe C2A A:Hem501 4.30 Fe C1D A:Hem501 3.04 Fe C1D A:Hem501 3.07 Fe C4A A:Hem501 3.07 Fe C4A A:Hem501 3.04 Fe C4B A:Hem501 3.05 Fe C4B A:Hem501 3.03 Fe C3A A:Hem501 4.30 Fe C3A A:Hem501 4.27 Fe HHA A:Hem501 4.35 Fe HHA A:Hem501 4.35 Fe C1C A:Hem501 3.03 Fe C1C A:Hem501 3.06 Fe C2C A:Hem501 4.30 Fe C2C A:Hem501 4.29 Fe NB A:Hem501 2.02 Fe NB A:Hem501 2.00 Fe HHC A:Hem501 4.34 Fe HHC A:Hem501 4.35 Fe FE A:Hem501 0.00 Fe FE A:Hem501 0.00 Fe C3B A:Hem501 4.31 Fe C3B A:Hem501 4.30 Fe C4D A:Hem501 3.03 Fe C4D A:Hem501 3.06 Fe NC A:Hem501 2.00 Fe NC A:Hem501 2.01 Fe CHB A:Hem501 3.43 Fe CHB A:Hem501 3.39 Fe CHC A:Hem501 3.41 Fe CHC A:Hem501 3.42 Fe C3D A:Hem501 4.30 Fe C3D A:Hem501 4.30 Fe C4C A:Hem501 3.03 Fe C4C A:Hem501 3.07 Fe C2B A:Hem501 4.32 Fe C2B A:Hem501 4.29 Fe HHB A:Hem501 4.36 Fe HHB A:Hem501 4.32 Fe ND A:Hem501 2.00 Fe ND A:Hem501 2.02 Fe CHD A:Hem501 3.40 Fe CHD A:Hem501 3.43 Fe C1B A:Hem501 3.08 Fe C1B A:Hem501 3.05 Fe HHD A:Hem501 4.33 Fe HHD A:Hem501 4.36 Fe C3C A:Hem501 4.29 Fe C3C A:Hem501 4.32 Fe C1A A:Hem501 3.07 Fe C1A A:Hem501 3.02 Fe O A:Hoh727 2.07 Fe O A:Hoh879 3.51 Fe O A:Hoh1022 4.68 Fe O A:Hoh1560 4.43 Fe O A:Hoh1594 4.97 interactive model: