Iron in PDB 2qls: Crystal Structure of Hemoglobin From Dog (Canis Familiaris) at 3.5 Angstrom Resolution

The structure of Crystal Structure of Hemoglobin From Dog (Canis Familiaris) at 3.5 Angstrom Resolution, PDB code: 2qls was solved by C.Packianathan, S.Sundaresan, K.Palani, K.Neeelagandan, M.N.Ponnuswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.87 / 3.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.090, 88.490, 66.370, 90.00, 105.72, 90.00
R / Rfree (%)	19.9 / 29.3

The binding sites of Iron atom in the Crystal Structure of Hemoglobin From Dog (Canis Familiaris) at 3.5 Angstrom Resolution (pdb code 2qls). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Hemoglobin From Dog (Canis Familiaris) at 3.5 Angstrom Resolution, PDB code: 2qls:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Hemoglobin From Dog (Canis Familiaris) at 3.5 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Hemoglobin From Dog (Canis Familiaris) at 3.5 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:7.7 occ:1.00 FE A:HEM142 0.0 7.7 1.0 NB A:HEM142 1.9 11.8 1.0 ND A:HEM142 1.9 7.7 1.0 NC A:HEM142 1.9 2.0 1.0 NA A:HEM142 2.0 9.2 1.0 NE2 A:HIS87 2.4 16.6 1.0 C4C A:HEM142 2.7 6.2 1.0 C1D A:HEM142 2.9 9.3 1.0 C1B A:HEM142 2.9 13.0 1.0 C1A A:HEM142 3.0 8.0 1.0 C4D A:HEM142 3.0 8.5 1.0 C4B A:HEM142 3.0 9.7 1.0 C4A A:HEM142 3.0 11.5 1.0 C1C A:HEM142 3.1 2.0 1.0 CHD A:HEM142 3.1 10.2 1.0 CHA A:HEM142 3.4 7.1 1.0 CE1 A:HIS87 3.4 6.8 1.0 CD2 A:HIS87 3.4 13.4 1.0 CHB A:HEM142 3.5 8.7 1.0 CHC A:HEM142 3.5 2.0 1.0 CE1 A:HIS58 3.9 12.7 1.0 C3C A:HEM142 4.0 5.8 1.0 C2A A:HEM142 4.0 9.7 1.0 C3D A:HEM142 4.1 10.9 1.0 C2D A:HEM142 4.1 9.0 1.0 C3A A:HEM142 4.1 11.0 1.0 C2B A:HEM142 4.1 12.7 1.0 C3B A:HEM142 4.1 14.2 1.0 C2C A:HEM142 4.2 2.0 1.0 NE2 A:HIS58 4.4 15.9 1.0 CG2 A:VAL62 4.4 16.4 1.0 ND1 A:HIS87 4.5 13.2 1.0 CG A:HIS87 4.6 13.5 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Hemoglobin From Dog (Canis Familiaris) at 3.5 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Hemoglobin From Dog (Canis Familiaris) at 3.5 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:19.8 occ:1.00 FE B:HEM147 0.0 19.8 1.0 NA B:HEM147 1.9 31.4 1.0 ND B:HEM147 1.9 20.1 1.0 NC B:HEM147 2.0 21.9 1.0 NB B:HEM147 2.1 18.7 1.0 NE2 B:HIS92 2.3 23.9 1.0 C4D B:HEM147 2.9 24.3 1.0 C1A B:HEM147 2.9 32.8 1.0 C4A B:HEM147 3.0 35.1 1.0 C1D B:HEM147 3.0 16.8 1.0 C4C B:HEM147 3.0 18.7 1.0 C1C B:HEM147 3.1 19.8 1.0 C4B B:HEM147 3.1 14.0 1.0 C1B B:HEM147 3.1 21.4 1.0 CD2 B:HIS92 3.2 21.7 1.0 CHA B:HEM147 3.3 28.0 1.0 CE1 B:HIS92 3.3 23.8 1.0 CHC B:HEM147 3.4 16.1 1.0 CHD B:HEM147 3.5 14.6 1.0 CHB B:HEM147 3.5 30.2 1.0 C3D B:HEM147 4.1 23.9 1.0 C2D B:HEM147 4.1 19.4 1.0 C3C B:HEM147 4.2 13.3 1.0 C2A B:HEM147 4.2 37.1 1.0 C3A B:HEM147 4.2 37.3 1.0 CE1 B:HIS63 4.3 19.3 1.0 C2C B:HEM147 4.3 12.6 1.0 C3B B:HEM147 4.3 18.7 1.0 CG B:HIS92 4.4 18.2 1.0 ND1 B:HIS92 4.4 20.1 1.0 C2B B:HEM147 4.4 20.1 1.0 CG2 B:VAL67 4.7 25.4 1.0 NE2 B:HIS63 4.8 22.0 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Hemoglobin From Dog (Canis Familiaris) at 3.5 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Hemoglobin From Dog (Canis Familiaris) at 3.5 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:9.2 occ:1.00 FE C:HEM142 0.0 9.2 1.0 NC C:HEM142 1.8 6.0 1.0 NB C:HEM142 1.9 11.0 1.0 ND C:HEM142 1.9 12.6 1.0 NA C:HEM142 2.0 11.4 1.0 NE2 C:HIS87 2.2 2.0 1.0 C4C C:HEM142 2.7 8.4 1.0 C4B C:HEM142 2.9 11.2 1.0 CE1 C:HIS87 2.9 2.0 1.0 C1D C:HEM142 3.0 14.5 1.0 C4A C:HEM142 3.0 11.8 1.0 C1A C:HEM142 3.0 16.5 1.0 C1B C:HEM142 3.0 4.1 1.0 C1C C:HEM142 3.0 8.5 1.0 C4D C:HEM142 3.0 15.6 1.0 CHD C:HEM142 3.2 12.0 1.0 CD2 C:HIS87 3.3 8.4 1.0 CHA C:HEM142 3.5 16.0 1.0 CHB C:HEM142 3.5 2.8 1.0 CHC C:HEM142 3.5 8.1 1.0 C3C C:HEM142 4.0 15.4 1.0 C3B C:HEM142 4.1 10.2 1.0 C3A C:HEM142 4.1 16.5 1.0 C2B C:HEM142 4.1 3.4 1.0 ND1 C:HIS87 4.1 14.6 1.0 C2A C:HEM142 4.2 19.1 1.0 CE1 C:HIS58 4.2 9.6 1.0 C2C C:HEM142 4.2 13.8 1.0 C3D C:HEM142 4.3 18.3 1.0 C2D C:HEM142 4.3 17.1 1.0 CG C:HIS87 4.4 12.9 1.0 NE2 C:HIS58 4.4 9.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Hemoglobin From Dog (Canis Familiaris) at 3.5 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Hemoglobin From Dog (Canis Familiaris) at 3.5 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:11.4 occ:1.00 FE D:HEM147 0.0 11.4 1.0 NC D:HEM147 1.9 12.4 1.0 NA D:HEM147 1.9 24.0 1.0 ND D:HEM147 2.0 19.9 1.0 NB D:HEM147 2.0 15.3 1.0 NE2 D:HIS92 2.2 20.9 1.0 C4C D:HEM147 2.8 16.4 1.0 C4A D:HEM147 3.0 26.9 1.0 C1D D:HEM147 3.0 21.0 1.0 CE1 D:HIS92 3.0 22.7 1.0 C1A D:HEM147 3.0 25.0 1.0 C1B D:HEM147 3.1 15.7 1.0 C1C D:HEM147 3.1 11.8 1.0 C4D D:HEM147 3.1 22.8 1.0 C4B D:HEM147 3.1 12.2 1.0 CHD D:HEM147 3.2 22.9 1.0 CD2 D:HIS92 3.4 18.6 1.0 CHA D:HEM147 3.4 23.8 1.0 CHB D:HEM147 3.5 19.0 1.0 CHC D:HEM147 3.5 11.0 1.0 NE2 D:HIS63 4.1 27.4 1.0 C3C D:HEM147 4.1 8.3 1.0 C3A D:HEM147 4.2 29.6 1.0 ND1 D:HIS92 4.2 18.2 1.0 C2A D:HEM147 4.2 30.1 1.0 C2C D:HEM147 4.2 7.0 1.0 C2B D:HEM147 4.3 11.6 1.0 C3B D:HEM147 4.3 14.0 1.0 C2D D:HEM147 4.3 18.4 1.0 C3D D:HEM147 4.4 20.6 1.0 CG D:HIS92 4.4 20.9 1.0 CE1 D:HIS63 4.9 24.5 1.0 CG2 D:VAL67 5.0 10.7 1.0

C.Packianathan, S.Sundaresan, K.Palani, K.Neeelagandan, M.N.Ponnuswamy. Purification, Crystallization and Crystal Structure Analysis of Hemoglobin From Dog (Canis Familiaris) To Be Published.