Iron in the structure of 2.9 Angstrom Crystal Structure of Lamprey Hemoglobin That Has Been Exposed to Carbon Monoxide. (pdb 1f5p)

The binding sites of Iron atom in the structure of 2.9 Angstrom Crystal Structure of Lamprey Hemoglobin That Has Been Exposed to Carbon Monoxide. (pdb code 1f5p). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1f5p structure was solved by H.A.HEASLET, W.E.ROYER JR., with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-2.9 Space group P212121 a (A) 82.500 b (A) 96.200 c (A) 145.100 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.6 Rfree (%) 25.6 Iron Binding Sites: Iron binding site 1 out of 6 in 1f5p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1f5p. 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: His73, A: His105, A: Hem150, A: Cmo151, conact list: Atom Atom Distance (A) Fe NE2 A:His73 4.77 Fe NE2 A:His105 1.94 Fe ND1 A:His105 4.01 Fe CD2 A:His105 3.11 Fe CE1 A:His105 2.80 Fe CG A:His105 4.17 Fe C2D A:Hem150 4.33 Fe NC A:Hem150 1.97 Fe CHB A:Hem150 3.48 Fe CHC A:Hem150 3.48 Fe C3D A:Hem150 4.33 Fe NA A:Hem150 1.98 Fe CHA A:Hem150 3.40 Fe C2A A:Hem150 4.26 Fe C1D A:Hem150 3.06 Fe C4A A:Hem150 3.06 Fe C4B A:Hem150 3.12 Fe C3A A:Hem150 4.28 Fe C4C A:Hem150 3.03 Fe C2B A:Hem150 4.35 Fe C1C A:Hem150 3.05 Fe C2C A:Hem150 4.27 Fe ND A:Hem150 1.98 Fe CHD A:Hem150 3.44 Fe C1B A:Hem150 3.12 Fe NB A:Hem150 2.04 Fe FE A:Hem150 0.00 Fe C3C A:Hem150 4.25 Fe C3B A:Hem150 4.35 Fe C4D A:Hem150 3.05 Fe C1A A:Hem150 3.02 Fe O A:Cmo151 3.07 Fe C A:Cmo151 1.86 interactive model: Iron binding site 2 out of 6 in 1f5p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1f5p. 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: His73, B: His105, B: Hem150, B: Cmo151, conact list: Atom Atom Distance (A) Fe NE2 B:His73 4.55 Fe NE2 B:His105 1.97 Fe ND1 B:His105 4.06 Fe CD2 B:His105 3.09 Fe CE1 B:His105 2.88 Fe CG B:His105 4.18 Fe C2D B:Hem150 4.21 Fe NC B:Hem150 1.98 Fe CHB B:Hem150 3.51 Fe CHC B:Hem150 3.45 Fe C3D B:Hem150 4.23 Fe NA B:Hem150 1.97 Fe CHA B:Hem150 3.34 Fe C2A B:Hem150 4.24 Fe C1D B:Hem150 2.99 Fe C4A B:Hem150 3.07 Fe C4B B:Hem150 3.12 Fe C3A B:Hem150 4.29 Fe C4C B:Hem150 3.06 Fe C2B B:Hem150 4.39 Fe C1C B:Hem150 3.03 Fe C2C B:Hem150 4.28 Fe ND B:Hem150 1.93 Fe CHD B:Hem150 3.40 Fe C1B B:Hem150 3.14 Fe NB B:Hem150 2.05 Fe FE B:Hem150 0.00 Fe C3C B:Hem150 4.32 Fe C3B B:Hem150 4.38 Fe C4D B:Hem150 2.98 Fe C1A B:Hem150 2.98 Fe O B:Cmo151 3.05 Fe C B:Cmo151 1.87 interactive model: Iron binding site 3 out of 6 in 1f5p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1f5p. 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: His73, C: His105, C: Hem150, C: Cmo151, conact list: Atom Atom Distance (A) Fe NE2 C:His73 4.30 Fe NE2 C:His105 2.09 Fe ND1 C:His105 4.20 Fe CD2 C:His105 3.18 Fe CE1 C:His105 3.03 Fe CG C:His105 4.30 Fe C2D C:Hem150 4.35 Fe NC C:Hem150 2.00 Fe CHB C:Hem150 3.47 Fe CHC C:Hem150 3.42 Fe C3D C:Hem150 4.33 Fe NA C:Hem150 2.03 Fe CHA C:Hem150 3.46 Fe C2A C:Hem150 4.35 Fe C1D C:Hem150 3.10 Fe C4A C:Hem150 3.10 Fe C4B C:Hem150 3.05 Fe C3A C:Hem150 4.33 Fe C4C C:Hem150 3.06 Fe C2B C:Hem150 4.28 Fe C1C C:Hem150 3.04 Fe C2C C:Hem150 4.27 Fe ND C:Hem150 2.02 Fe CHD C:Hem150 3.46 Fe C1B C:Hem150 3.07 Fe NB C:Hem150 2.00 Fe FE C:Hem150 0.00 Fe C3C C:Hem150 4.30 Fe C3B C:Hem150 4.30 Fe C4D C:Hem150 3.08 Fe C1A C:Hem150 3.10 Fe O C:Cmo151 3.11 Fe C C:Cmo151 1.89 interactive model: Iron binding site 4 out of 6 in 1f5p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1f5p. 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: His73, D: His105, D: Hem150, D: Cmo151, conact list: Atom Atom Distance (A) Fe NE2 D:His73 4.44 Fe NE2 D:His105 2.13 Fe ND1 D:His105 4.26 Fe CD2 D:His105 3.23 Fe CE1 D:His105 3.08 Fe CG D:His105 4.35 Fe C2D D:Hem150 4.19 Fe NC D:Hem150 1.98 Fe CHB D:Hem150 3.53 Fe CHC D:Hem150 3.42 Fe C3D D:Hem150 4.16 Fe NA D:Hem150 1.98 Fe CHA D:Hem150 3.33 Fe C2A D:Hem150 4.25 Fe C1D D:Hem150 2.98 Fe C4A D:Hem150 3.08 Fe C4B D:Hem150 3.09 Fe C3A D:Hem150 4.29 Fe C4C D:Hem150 3.04 Fe C2B D:Hem150 4.38 Fe C1C D:Hem150 3.01 Fe C2C D:Hem150 4.24 Fe ND D:Hem150 1.91 Fe CHD D:Hem150 3.42 Fe C1B D:Hem150 3.15 Fe NB D:Hem150 2.05 Fe FE D:Hem150 0.00 Fe C3C D:Hem150 4.26 Fe C3B D:Hem150 4.33 Fe C4D D:Hem150 2.94 Fe C1A D:Hem150 2.99 Fe O D:Cmo151 3.18 Fe C D:Cmo151 1.94 interactive model: Iron binding site 5 out of 6 in 1f5p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1f5p. 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: His73, E: His105, E: Hem150, E: Cmo151, conact list: Atom Atom Distance (A) Fe NE2 E:His73 4.38 Fe NE2 E:His105 2.09 Fe ND1 E:His105 4.21 Fe CD2 E:His105 3.18 Fe CE1 E:His105 3.03 Fe CG E:His105 4.30 Fe C2D E:Hem150 4.24 Fe NC E:Hem150 2.01 Fe CHB E:Hem150 3.48 Fe CHC E:Hem150 3.47 Fe C3D E:Hem150 4.22 Fe NA E:Hem150 2.00 Fe CHA E:Hem150 3.39 Fe C2A E:Hem150 4.28 Fe C1D E:Hem150 3.04 Fe C4A E:Hem150 3.10 Fe C4B E:Hem150 3.07 Fe C3A E:Hem150 4.34 Fe C4C E:Hem150 3.10 Fe C2B E:Hem150 4.30 Fe C1C E:Hem150 3.08 Fe C2C E:Hem150 4.29 Fe ND E:Hem150 1.96 Fe CHD E:Hem150 3.47 Fe C1B E:Hem150 3.08 Fe NB E:Hem150 2.01 Fe FE E:Hem150 0.00 Fe C3C E:Hem150 4.34 Fe C3B E:Hem150 4.30 Fe C4D E:Hem150 2.99 Fe C1A E:Hem150 3.03 Fe O E:Cmo151 3.10 Fe C E:Cmo151 1.86 interactive model: Iron binding site 6 out of 6 in 1f5p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 1f5p. 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: His73, F: His105, F: Hem150, F: Cmo151, conact list: Atom Atom Distance (A) Fe NE2 F:His73 4.96 Fe NE2 F:His105 2.11 Fe ND1 F:His105 4.19 Fe CD2 F:His105 3.26 Fe CE1 F:His105 2.99 Fe CG F:His105 4.34 Fe C2D F:Hem150 4.23 Fe NC F:Hem150 1.96 Fe CHB F:Hem150 3.40 Fe CHC F:Hem150 3.43 Fe C3D F:Hem150 4.22 Fe NA F:Hem150 1.95 Fe CHA F:Hem150 3.41 Fe C2A F:Hem150 4.22 Fe C1D F:Hem150 3.01 Fe C4A F:Hem150 3.01 Fe C4B F:Hem150 3.04 Fe C3A F:Hem150 4.26 Fe C4C F:Hem150 3.02 Fe C2B F:Hem150 4.24 Fe C1C F:Hem150 3.03 Fe C2C F:Hem150 4.26 Fe ND F:Hem150 1.97 Fe CHD F:Hem150 3.40 Fe C1B F:Hem150 3.01 Fe NB F:Hem150 1.96 Fe FE F:Hem150 0.00 Fe C3C F:Hem150 4.27 Fe C3B F:Hem150 4.29 Fe C4D F:Hem150 3.02 Fe C1A F:Hem150 3.01 Fe O F:Cmo151 3.13 Fe C F:Cmo151 1.92 interactive model: