Iron in PDB 3gou: Crystal Structure of Dog (Canis Familiaris) Hemoglobin

The structure of Crystal Structure of Dog (Canis Familiaris) Hemoglobin, PDB code: 3gou was solved by S.S.Sundaresan, P.Ramesh, M.Thenmozhi, M.N.Ponnuswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.51 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.435, 86.270, 130.565, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 25.6

The binding sites of Iron atom in the Crystal Structure of Dog (Canis Familiaris) Hemoglobin (pdb code 3gou). 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 Dog (Canis Familiaris) Hemoglobin, PDB code: 3gou:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Dog (Canis Familiaris) Hemoglobin


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 Dog (Canis Familiaris) Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:21.3 occ:1.00 FE A:HEM142 0.0 21.3 1.0 O A:HOH148 1.8 25.5 1.0 NA A:HEM142 1.9 22.5 1.0 NC A:HEM142 2.0 20.3 1.0 ND A:HEM142 2.0 21.5 1.0 NB A:HEM142 2.0 20.6 1.0 NE2 A:HIS87 2.2 24.4 1.0 C1A A:HEM142 2.9 23.4 1.0 CE1 A:HIS87 3.0 24.2 1.0 C4D A:HEM142 3.0 22.0 1.0 C4A A:HEM142 3.0 22.9 1.0 C1C A:HEM142 3.0 19.9 1.0 C4B A:HEM142 3.0 21.0 1.0 C4C A:HEM142 3.0 19.6 1.0 C1D A:HEM142 3.1 20.5 1.0 C1B A:HEM142 3.1 21.3 1.0 CHA A:HEM142 3.3 22.6 1.0 CD2 A:HIS87 3.3 23.3 1.0 CHC A:HEM142 3.4 21.2 1.0 CHD A:HEM142 3.4 20.3 1.0 CHB A:HEM142 3.5 22.6 1.0 C2A A:HEM142 4.1 24.9 1.0 ND1 A:HIS87 4.2 23.2 1.0 C3A A:HEM142 4.2 24.1 1.0 C2C A:HEM142 4.2 18.5 1.0 C3D A:HEM142 4.2 21.4 1.0 C3C A:HEM142 4.2 18.8 1.0 C2D A:HEM142 4.3 20.2 1.0 C3B A:HEM142 4.3 20.6 1.0 C2B A:HEM142 4.3 20.6 1.0 NE2 A:HIS58 4.4 25.0 1.0 CG A:HIS87 4.4 22.9 1.0 CE1 A:HIS58 4.6 24.9 1.0 CG2 A:VAL62 4.8 24.7 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Dog (Canis Familiaris) Hemoglobin


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 Dog (Canis Familiaris) Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:21.2 occ:1.00 FE B:HEM147 0.0 21.2 1.0 NB B:HEM147 1.9 19.1 1.0 O B:HOH154 1.9 19.6 1.0 NE2 B:HIS92 1.9 28.0 1.0 NA B:HEM147 2.0 19.2 1.0 NC B:HEM147 2.0 17.6 1.0 ND B:HEM147 2.1 19.0 1.0 CE1 B:HIS92 2.8 27.8 1.0 C1B B:HEM147 2.9 18.8 1.0 C4B B:HEM147 2.9 18.3 1.0 CD2 B:HIS92 2.9 28.2 1.0 C1C B:HEM147 3.0 17.4 1.0 C4A B:HEM147 3.0 19.3 1.0 C4C B:HEM147 3.0 18.4 1.0 C1A B:HEM147 3.0 19.2 1.0 C4D B:HEM147 3.1 19.3 1.0 C1D B:HEM147 3.2 18.2 1.0 CHB B:HEM147 3.3 18.7 1.0 CHC B:HEM147 3.3 18.1 1.0 CHA B:HEM147 3.4 18.9 1.0 CHD B:HEM147 3.5 18.4 1.0 ND1 B:HIS92 3.9 27.9 1.0 CG B:HIS92 4.0 28.1 1.0 C2B B:HEM147 4.1 18.3 1.0 C3B B:HEM147 4.1 17.8 1.0 C2C B:HEM147 4.2 17.5 1.0 C3A B:HEM147 4.2 18.9 1.0 C3C B:HEM147 4.2 19.0 1.0 C2A B:HEM147 4.2 19.4 1.0 C3D B:HEM147 4.4 20.1 1.0 C2D B:HEM147 4.4 19.4 1.0 CG2 B:VAL67 4.7 23.7 1.0 NE2 B:HIS63 4.7 18.3 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Dog (Canis Familiaris) Hemoglobin


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 Dog (Canis Familiaris) Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:13.8 occ:1.00 FE C:HEM142 0.0 13.8 1.0 O C:HOH149 1.8 18.3 1.0 NC C:HEM142 1.9 13.5 1.0 ND C:HEM142 1.9 12.8 1.0 NA C:HEM142 2.0 12.2 1.0 NE2 C:HIS87 2.0 19.7 1.0 NB C:HEM142 2.1 12.4 1.0 CE1 C:HIS87 2.9 19.0 1.0 C4D C:HEM142 2.9 14.1 1.0 C4C C:HEM142 2.9 13.8 1.0 C1D C:HEM142 3.0 13.6 1.0 C1C C:HEM142 3.0 12.2 1.0 C1A C:HEM142 3.0 13.4 1.0 C4B C:HEM142 3.1 12.8 1.0 C4A C:HEM142 3.1 12.9 1.0 C1B C:HEM142 3.1 11.7 1.0 CD2 C:HIS87 3.2 19.2 1.0 CHA C:HEM142 3.3 13.9 1.0 CHD C:HEM142 3.3 13.7 1.0 CHC C:HEM142 3.4 11.9 1.0 CHB C:HEM142 3.5 12.7 1.0 ND1 C:HIS87 4.1 18.9 1.0 C3C C:HEM142 4.2 12.9 1.0 C3D C:HEM142 4.2 14.8 1.0 C2C C:HEM142 4.2 12.3 1.0 C2D C:HEM142 4.2 14.3 1.0 NE2 C:HIS58 4.2 27.0 1.0 CG C:HIS87 4.2 20.7 1.0 C2A C:HEM142 4.2 14.9 1.0 C3A C:HEM142 4.3 14.3 1.0 C3B C:HEM142 4.3 12.1 1.0 C2B C:HEM142 4.3 10.8 1.0 CE1 C:HIS58 4.4 26.8 1.0 CD1 C:LEU91 4.9 24.0 1.0 CG2 C:VAL62 4.9 20.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Dog (Canis Familiaris) Hemoglobin


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 Dog (Canis Familiaris) Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:23.6 occ:1.00 FE D:HEM147 0.0 23.6 1.0 NA D:HEM147 1.9 24.6 1.0 ND D:HEM147 2.0 25.4 1.0 NC D:HEM147 2.1 25.0 1.0 O D:HOH156 2.1 16.6 1.0 NB D:HEM147 2.1 25.1 1.0 NE2 D:HIS92 2.3 25.0 1.0 C4A D:HEM147 2.9 24.8 1.0 C1A D:HEM147 2.9 25.6 1.0 C4D D:HEM147 3.0 25.6 1.0 C1D D:HEM147 3.0 25.6 1.0 C4C D:HEM147 3.0 25.3 1.0 C1B D:HEM147 3.1 24.5 1.0 C1C D:HEM147 3.2 25.0 1.0 CE1 D:HIS92 3.2 25.7 1.0 C4B D:HEM147 3.2 25.5 1.0 CD2 D:HIS92 3.3 25.9 1.0 CHA D:HEM147 3.3 25.6 1.0 CHB D:HEM147 3.3 24.5 1.0 CHD D:HEM147 3.4 25.7 1.0 CHC D:HEM147 3.6 25.6 1.0 C2A D:HEM147 4.1 26.5 1.0 C3A D:HEM147 4.1 25.6 1.0 C3D D:HEM147 4.3 25.4 1.0 C2D D:HEM147 4.3 25.1 1.0 C3C D:HEM147 4.3 24.7 1.0 NE2 D:HIS63 4.3 24.6 1.0 ND1 D:HIS92 4.3 25.4 1.0 C2B D:HEM147 4.3 24.9 1.0 C2C D:HEM147 4.4 24.0 1.0 CG D:HIS92 4.4 26.6 1.0 C3B D:HEM147 4.4 25.5 1.0 CG2 D:VAL67 4.5 25.6 1.0 CE1 D:HIS63 4.7 23.5 1.0

S.S.Sundaresan, P.Ramesh, M.Thenmozhi, M.N.Ponnuswamy. Crystal Structure of Dog (Canis Familiaris) Hemoglobin To Be Published.