Iron in PDB 2rao: X Ray Crystal Structure of Rabbit Hemoglobin (Oxy Form) at 2.0 Angstrom Resolution

The structure of X Ray Crystal Structure of Rabbit Hemoglobin (Oxy Form) at 2.0 Angstrom Resolution, PDB code: 2rao was solved by S.Sundaresan, C.Packianathan, K.Neelagandan, M.N.Ponnuswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.30 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	54.608, 54.862, 64.021, 67.23, 66.35, 60.68
R / Rfree (%)	17.1 / 21.9

The binding sites of Iron atom in the X Ray Crystal Structure of Rabbit Hemoglobin (Oxy Form) at 2.0 Angstrom Resolution (pdb code 2rao). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the X Ray Crystal Structure of Rabbit Hemoglobin (Oxy Form) at 2.0 Angstrom Resolution, PDB code: 2rao:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the X Ray Crystal Structure of Rabbit Hemoglobin (Oxy Form) at 2.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X Ray Crystal Structure of Rabbit Hemoglobin (Oxy Form) at 2.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:16.9 occ:1.00 FE A:HEM142 0.0 16.9 1.0 O2 A:OXY143 1.7 17.0 1.0 NB A:HEM142 2.0 15.8 1.0 NA A:HEM142 2.1 16.4 1.0 ND A:HEM142 2.1 15.4 1.0 NC A:HEM142 2.1 16.4 1.0 NE2 A:HIS87 2.2 22.5 1.0 O1 A:OXY143 2.6 25.5 1.0 C1B A:HEM142 3.0 17.5 1.0 C4A A:HEM142 3.0 18.1 1.0 C4B A:HEM142 3.1 16.4 1.0 C1A A:HEM142 3.1 17.8 1.0 C4D A:HEM142 3.1 18.5 1.0 C1C A:HEM142 3.1 15.3 1.0 C1D A:HEM142 3.1 17.2 1.0 CE1 A:HIS87 3.1 21.1 1.0 C4C A:HEM142 3.2 17.0 1.0 CD2 A:HIS87 3.2 15.9 1.0 CHB A:HEM142 3.4 17.8 1.0 CHC A:HEM142 3.4 14.9 1.0 CHA A:HEM142 3.4 17.7 1.0 CHD A:HEM142 3.5 14.8 1.0 ND1 A:HIS87 4.3 19.7 1.0 C2B A:HEM142 4.3 15.8 1.0 C3A A:HEM142 4.3 17.9 1.0 C3B A:HEM142 4.3 14.9 1.0 C2A A:HEM142 4.3 19.8 1.0 CG A:HIS87 4.3 20.6 1.0 C2C A:HEM142 4.3 14.2 1.0 C3D A:HEM142 4.3 17.7 1.0 C2D A:HEM142 4.3 15.6 1.0 C3C A:HEM142 4.4 12.9 1.0 CE1 A:HIS58 4.4 21.9 1.0 NE2 A:HIS58 4.5 20.1 1.0

Iron binding site 2 out of 4 in the X Ray Crystal Structure of Rabbit Hemoglobin (Oxy Form) at 2.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X Ray Crystal Structure of Rabbit Hemoglobin (Oxy Form) at 2.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:20.3 occ:1.00 FE B:HEM147 0.0 20.3 1.0 O2 B:OXY148 1.9 14.8 1.0 NB B:HEM147 2.0 17.6 1.0 NA B:HEM147 2.0 19.8 1.0 NC B:HEM147 2.1 17.3 1.0 ND B:HEM147 2.1 19.2 1.0 NE2 B:HIS92 2.2 23.7 1.0 O1 B:OXY148 2.9 35.9 1.0 C1B B:HEM147 3.0 19.4 1.0 C4A B:HEM147 3.0 19.9 1.0 C4C B:HEM147 3.1 18.3 1.0 C1A B:HEM147 3.1 22.2 1.0 C4B B:HEM147 3.1 18.5 1.0 C4D B:HEM147 3.1 21.4 1.0 C1C B:HEM147 3.1 17.4 1.0 CE1 B:HIS92 3.1 22.9 1.0 C1D B:HEM147 3.1 19.5 1.0 CD2 B:HIS92 3.2 20.4 1.0 CHB B:HEM147 3.4 19.4 1.0 CHD B:HEM147 3.5 18.1 1.0 CHA B:HEM147 3.5 20.8 1.0 CHC B:HEM147 3.5 16.7 1.0 NE2 B:HIS63 4.1 22.2 1.0 C2B B:HEM147 4.2 19.6 1.0 ND1 B:HIS92 4.2 22.2 1.0 C3A B:HEM147 4.2 23.3 1.0 C3B B:HEM147 4.2 20.5 1.0 C2A B:HEM147 4.3 24.8 1.0 C3C B:HEM147 4.3 16.6 1.0 CG B:HIS92 4.3 24.8 1.0 C2C B:HEM147 4.3 17.9 1.0 C3D B:HEM147 4.3 22.6 1.0 C2D B:HEM147 4.3 20.9 1.0 CE1 B:HIS63 4.8 24.2 1.0 CG2 B:VAL67 4.9 19.4 1.0

Iron binding site 3 out of 4 in the X Ray Crystal Structure of Rabbit Hemoglobin (Oxy Form) at 2.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of X Ray Crystal Structure of Rabbit Hemoglobin (Oxy Form) at 2.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:20.2 occ:1.00 FE C:HEM142 0.0 20.2 1.0 O2 C:OXY143 1.9 13.5 1.0 NC C:HEM142 2.0 19.3 1.0 NB C:HEM142 2.0 16.9 1.0 NA C:HEM142 2.1 18.8 1.0 ND C:HEM142 2.1 18.6 1.0 NE2 C:HIS87 2.2 22.6 1.0 O1 C:OXY143 3.0 36.7 1.0 C1C C:HEM142 3.0 17.4 1.0 C4C C:HEM142 3.0 17.2 1.0 C4B C:HEM142 3.1 17.9 1.0 C1A C:HEM142 3.1 19.3 1.0 C1D C:HEM142 3.1 18.9 1.0 C4D C:HEM142 3.1 20.1 1.0 C4A C:HEM142 3.1 17.6 1.0 C1B C:HEM142 3.1 18.9 1.0 CE1 C:HIS87 3.1 18.4 1.0 CD2 C:HIS87 3.2 17.9 1.0 CHC C:HEM142 3.4 17.5 1.0 CHD C:HEM142 3.4 15.7 1.0 CHA C:HEM142 3.4 18.6 1.0 CHB C:HEM142 3.5 18.8 1.0 C2C C:HEM142 4.2 17.0 1.0 C3C C:HEM142 4.2 16.0 1.0 ND1 C:HIS87 4.3 18.4 1.0 C2A C:HEM142 4.3 21.0 1.0 C3A C:HEM142 4.3 19.1 1.0 C3B C:HEM142 4.3 18.7 1.0 C2D C:HEM142 4.3 18.9 1.0 C3D C:HEM142 4.3 20.3 1.0 C2B C:HEM142 4.3 19.5 1.0 CG C:HIS87 4.4 20.5 1.0 NE2 C:HIS58 4.4 20.5 1.0 CE1 C:HIS58 4.5 22.8 1.0

Iron binding site 4 out of 4 in the X Ray Crystal Structure of Rabbit Hemoglobin (Oxy Form) at 2.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of X Ray Crystal Structure of Rabbit Hemoglobin (Oxy Form) at 2.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:18.6 occ:1.00 FE D:HEM147 0.0 18.6 1.0 O2 D:OXY148 2.0 13.3 1.0 NB D:HEM147 2.0 16.7 1.0 ND D:HEM147 2.0 17.0 1.0 NA D:HEM147 2.1 18.6 1.0 NC D:HEM147 2.1 16.9 1.0 NE2 D:HIS92 2.3 22.5 1.0 C1B D:HEM147 3.0 18.4 1.0 O1 D:OXY148 3.0 32.7 1.0 C4D D:HEM147 3.0 18.7 1.0 C1D D:HEM147 3.1 20.5 1.0 C4A D:HEM147 3.1 16.7 1.0 C4C D:HEM147 3.1 16.1 1.0 C1A D:HEM147 3.1 18.2 1.0 C4B D:HEM147 3.1 18.3 1.0 C1C D:HEM147 3.1 15.7 1.0 CD2 D:HIS92 3.2 19.7 1.0 CE1 D:HIS92 3.3 20.0 1.0 CHB D:HEM147 3.4 17.1 1.0 CHA D:HEM147 3.4 15.5 1.0 CHD D:HEM147 3.4 17.0 1.0 CHC D:HEM147 3.5 15.2 1.0 C2B D:HEM147 4.2 17.0 1.0 NE2 D:HIS63 4.2 20.0 1.0 C3B D:HEM147 4.3 15.7 1.0 C3D D:HEM147 4.3 21.1 1.0 C2D D:HEM147 4.3 19.6 1.0 C3A D:HEM147 4.3 18.8 1.0 C2C D:HEM147 4.3 17.8 1.0 C3C D:HEM147 4.3 14.6 1.0 C2A D:HEM147 4.3 19.4 1.0 ND1 D:HIS92 4.4 18.0 1.0 CG D:HIS92 4.4 22.2 1.0 CG2 D:VAL67 4.8 17.6 1.0 CE1 D:HIS63 5.0 22.5 1.0

S.Sundaresan, C.Packianathan, K.Neelagandan, M.N.Ponnuswamy. X-Ray Crystal Structure Determination of Hemoglobin From Rabbit at 2.0 Angstrom Resloution To Be Published.