Iron in the structure of Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution (pdb 3isf)

The binding sites of Iron atom in the structure of Structure of Non-Mineralized Bfrb (As-Isolated) From Pseudomonas Aeruginosa to 2.07A Resolution (pdb code 3isf). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3isf structure was solved by S.LOVELL, S.K.WEERATUNGA, K.P.BATTAILE, M.RIVERA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 44.0-2.1 Space group I222 a (A) 122.761 b (A) 126.274 c (A) 168.553 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.8 Rfree (%) 24.5 Iron Binding Sites: Iron binding site 1 out of 4 in 3isf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3isf. 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: Ile49, A: Met52, B: Met52, B: Hem159, conact list: Atom Atom Distance (A) Fe CD1 A:Ile49 4.96 Fe CB A:Met52 4.18 Fe CE A:Met52 3.20 Fe CG A:Met52 3.49 Fe SD A:Met52 2.26 Fe CB B:Met52 4.20 Fe CE B:Met52 3.20 Fe CG B:Met52 3.57 Fe SD B:Met52 2.32 Fe C2D B:Hem159 4.33 Fe NC B:Hem159 2.05 Fe CHB B:Hem159 3.55 Fe CHC B:Hem159 3.37 Fe C3D B:Hem159 4.22 Fe NA B:Hem159 2.09 Fe CHA B:Hem159 3.28 Fe C2A B:Hem159 4.26 Fe C1D B:Hem159 3.15 Fe C4A B:Hem159 3.17 Fe C4B B:Hem159 3.07 Fe C3A B:Hem159 4.33 Fe C4C B:Hem159 3.17 Fe C2B B:Hem159 4.34 Fe C1C B:Hem159 3.00 Fe C2C B:Hem159 4.25 Fe ND B:Hem159 2.03 Fe CHD B:Hem159 3.56 Fe C1B B:Hem159 3.17 Fe NB B:Hem159 2.12 Fe FE B:Hem159 0.00 Fe C3C B:Hem159 4.33 Fe C3B B:Hem159 4.30 Fe C4D B:Hem159 2.95 Fe C1A B:Hem159 3.00 interactive model: Iron binding site 2 out of 4 in 3isf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3isf. 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: Met52, D: Met52, C: Hem159, conact list: Atom Atom Distance (A) Fe CB C:Met52 4.19 Fe CE C:Met52 3.13 Fe CG C:Met52 3.60 Fe SD C:Met52 2.26 Fe CB D:Met52 4.22 Fe CE D:Met52 3.36 Fe CG D:Met52 3.54 Fe SD D:Met52 2.31 Fe C2D C:Hem159 4.36 Fe NC C:Hem159 2.02 Fe CHB C:Hem159 3.52 Fe CHC C:Hem159 3.34 Fe C3D C:Hem159 4.33 Fe NA C:Hem159 2.09 Fe CHA C:Hem159 3.40 Fe C2A C:Hem159 4.31 Fe C1D C:Hem159 3.14 Fe C4A C:Hem159 3.15 Fe C4B C:Hem159 3.01 Fe C3A C:Hem159 4.35 Fe C4C C:Hem159 3.11 Fe C2B C:Hem159 4.34 Fe C1C C:Hem159 2.98 Fe C2C C:Hem159 4.23 Fe ND C:Hem159 2.14 Fe CHD C:Hem159 3.50 Fe C1B C:Hem159 3.15 Fe NB C:Hem159 2.06 Fe FE C:Hem159 0.00 Fe C3C C:Hem159 4.29 Fe C3B C:Hem159 4.25 Fe C4D C:Hem159 3.09 Fe C1A C:Hem159 3.06 interactive model: Iron binding site 3 out of 4 in 3isf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 3isf. 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: E: Met52, E: Hem159, conact list: Atom Atom Distance (A) Fe CB E:Met52 4.22 Fe CE E:Met52 3.27 Fe CG E:Met52 3.62 Fe SD E:Met52 2.37 Fe C2D E:Hem159 4.25 Fe NC E:Hem159 2.02 Fe CHB E:Hem159 3.61 Fe CHC E:Hem159 3.52 Fe C3D E:Hem159 4.23 Fe NA E:Hem159 2.11 Fe CHA E:Hem159 3.36 Fe C2A E:Hem159 4.31 Fe C1D E:Hem159 3.02 Fe C4A E:Hem159 3.20 Fe C4B E:Hem159 3.21 Fe C3A E:Hem159 4.38 Fe C4C E:Hem159 2.99 Fe C2B E:Hem159 4.44 Fe C1C E:Hem159 3.08 Fe C2C E:Hem159 4.26 Fe ND E:Hem159 2.02 Fe CHD E:Hem159 3.35 Fe C1B E:Hem159 3.25 Fe NB E:Hem159 2.23 Fe FE E:Hem159 0.00 Fe C3C E:Hem159 4.21 Fe C3B E:Hem159 4.44 Fe C4D E:Hem159 3.00 Fe C1A E:Hem159 3.05 interactive model: Iron binding site 4 out of 4 in 3isf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 3isf. 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: F: Ile49, F: Met52, F: Hem159, conact list: Atom Atom Distance (A) Fe CD1 F:Ile49 4.96 Fe CB F:Met52 4.36 Fe CE F:Met52 3.35 Fe CG F:Met52 3.60 Fe SD F:Met52 2.36 Fe C2D F:Hem159 4.33 Fe NC F:Hem159 2.09 Fe CHB F:Hem159 3.60 Fe CHC F:Hem159 3.35 Fe C3D F:Hem159 4.26 Fe NA F:Hem159 2.11 Fe CHA F:Hem159 3.32 Fe C2A F:Hem159 4.30 Fe C1D F:Hem159 3.13 Fe C4A F:Hem159 3.20 Fe C4B F:Hem159 3.04 Fe C3A F:Hem159 4.37 Fe C4C F:Hem159 3.17 Fe C2B F:Hem159 4.35 Fe C1C F:Hem159 3.01 Fe C2C F:Hem159 4.26 Fe ND F:Hem159 2.07 Fe CHD F:Hem159 3.54 Fe C1B F:Hem159 3.20 Fe NB F:Hem159 2.13 Fe FE F:Hem159 0.00 Fe C3C F:Hem159 4.33 Fe C3B F:Hem159 4.30 Fe C4D F:Hem159 3.00 Fe C1A F:Hem159 3.04 interactive model: