Iron in PDB 3eu1: Crystal Structure Determination of Goat Hemoglobin (Capra Hircus) at 3 Angstrom Resolution

The structure of Crystal Structure Determination of Goat Hemoglobin (Capra Hircus) at 3 Angstrom Resolution, PDB code: 3eu1 was solved by P.Sathya Moorthy, K.Neelagandan, M.Balasubramanian, M.N.Ponnuswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.08 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.678, 66.896, 157.593, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 27.8

The binding sites of Iron atom in the Crystal Structure Determination of Goat Hemoglobin (Capra Hircus) at 3 Angstrom Resolution (pdb code 3eu1). 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 Determination of Goat Hemoglobin (Capra Hircus) at 3 Angstrom Resolution, PDB code: 3eu1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure Determination of Goat Hemoglobin (Capra Hircus) at 3 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 Determination of Goat Hemoglobin (Capra Hircus) at 3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:49.7 occ:1.00 FE A:HEM142 0.0 49.7 1.0 NB A:HEM142 2.0 50.4 1.0 NC A:HEM142 2.1 50.4 1.0 ND A:HEM142 2.2 54.0 1.0 NA A:HEM142 2.2 52.3 1.0 CE1 A:HIS87 2.5 45.8 1.0 C4B A:HEM142 3.0 49.8 1.0 C1B A:HEM142 3.0 51.7 1.0 NE2 A:HIS87 3.0 45.5 1.0 C1C A:HEM142 3.0 49.8 1.0 C4C A:HEM142 3.1 50.1 1.0 C1D A:HEM142 3.1 54.3 1.0 C4A A:HEM142 3.2 53.4 1.0 C4D A:HEM142 3.2 54.8 1.0 C1A A:HEM142 3.3 53.5 1.0 CHC A:HEM142 3.4 49.5 1.0 CHB A:HEM142 3.4 52.9 1.0 CHD A:HEM142 3.4 51.9 1.0 CHA A:HEM142 3.6 54.2 1.0 ND1 A:HIS87 3.7 46.7 1.0 NE2 A:HIS58 4.1 41.2 1.0 C3B A:HEM142 4.2 50.8 1.0 C2B A:HEM142 4.2 51.4 1.0 C2C A:HEM142 4.3 49.3 1.0 C3C A:HEM142 4.3 49.8 1.0 CD2 A:HIS87 4.4 45.6 1.0 C2D A:HEM142 4.4 55.4 1.0 C3A A:HEM142 4.4 54.6 1.0 C3D A:HEM142 4.5 55.3 1.0 C2A A:HEM142 4.5 55.4 1.0 CG A:HIS87 4.7 47.0 1.0 CE1 A:HIS58 4.8 39.2 1.0 CG2 A:VAL62 4.8 43.3 1.0

Iron binding site 2 out of 4 in the Crystal Structure Determination of Goat Hemoglobin (Capra Hircus) at 3 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 Determination of Goat Hemoglobin (Capra Hircus) at 3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:14.8 occ:1.00 FE B:HEM147 0.0 14.8 1.0 NC B:HEM147 1.9 13.9 1.0 NB B:HEM147 2.0 15.6 1.0 ND B:HEM147 2.1 15.9 1.0 NA B:HEM147 2.2 17.9 1.0 NE2 B:HIS92 2.3 21.4 1.0 C4C B:HEM147 2.9 13.9 1.0 C1D B:HEM147 2.9 15.1 1.0 CE1 B:HIS92 3.0 21.7 1.0 C1C B:HEM147 3.0 13.3 1.0 C1B B:HEM147 3.0 18.6 1.0 C4B B:HEM147 3.0 15.4 1.0 C4A B:HEM147 3.1 19.6 1.0 C4D B:HEM147 3.2 17.9 1.0 CHD B:HEM147 3.2 14.5 1.0 C1A B:HEM147 3.3 18.6 1.0 CHB B:HEM147 3.4 18.9 1.0 CHC B:HEM147 3.4 14.0 1.0 CD2 B:HIS92 3.5 22.4 1.0 CHA B:HEM147 3.6 18.1 1.0 NE2 B:HIS63 3.8 40.7 1.0 CE1 B:HIS63 4.1 41.3 1.0 C3C B:HEM147 4.2 12.4 1.0 ND1 B:HIS92 4.2 21.1 1.0 C2C B:HEM147 4.2 12.3 1.0 C2D B:HEM147 4.2 16.5 1.0 C2B B:HEM147 4.2 18.8 1.0 C3B B:HEM147 4.2 18.6 1.0 CG2 B:VAL67 4.3 39.0 1.0 C3D B:HEM147 4.3 17.8 1.0 C3A B:HEM147 4.4 21.1 1.0 CG B:HIS92 4.4 25.1 1.0 C2A B:HEM147 4.5 21.5 1.0 CD1 B:LEU96 5.0 33.1 1.0

Iron binding site 3 out of 4 in the Crystal Structure Determination of Goat Hemoglobin (Capra Hircus) at 3 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 Determination of Goat Hemoglobin (Capra Hircus) at 3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:18.8 occ:1.00 FE C:HEM142 0.0 18.8 1.0 NA C:HEM142 2.0 20.3 1.0 ND C:HEM142 2.0 18.5 1.0 NB C:HEM142 2.1 17.0 1.0 NC C:HEM142 2.1 19.3 1.0 CE1 C:HIS87 2.3 20.3 1.0 C1A C:HEM142 2.9 22.4 1.0 NE2 C:HIS87 2.9 20.2 1.0 C1D C:HEM142 3.0 17.7 1.0 C4A C:HEM142 3.0 21.2 1.0 C4D C:HEM142 3.0 18.6 1.0 C4C C:HEM142 3.1 18.4 1.0 C4B C:HEM142 3.1 17.0 1.0 C1C C:HEM142 3.1 19.3 1.0 C1B C:HEM142 3.1 16.8 1.0 CHA C:HEM142 3.3 20.3 1.0 CHD C:HEM142 3.4 18.0 1.0 ND1 C:HIS87 3.5 22.1 1.0 CHC C:HEM142 3.5 18.1 1.0 CHB C:HEM142 3.5 17.8 1.0 NE2 C:HIS58 3.6 32.1 1.0 CE1 C:HIS58 3.9 30.1 1.0 C2A C:HEM142 4.1 25.0 1.0 C3A C:HEM142 4.2 23.5 1.0 CD2 C:HIS87 4.2 22.9 1.0 C2D C:HEM142 4.2 17.3 1.0 C3D C:HEM142 4.3 17.0 1.0 C3C C:HEM142 4.3 16.8 1.0 C3B C:HEM142 4.3 16.1 1.0 C2C C:HEM142 4.3 17.1 1.0 C2B C:HEM142 4.4 15.7 1.0 CG C:HIS87 4.5 23.7 1.0 CZ C:PHE43 4.8 27.5 1.0 CG2 C:VAL62 4.8 25.9 1.0 CD2 C:HIS58 4.9 31.0 1.0

Iron binding site 4 out of 4 in the Crystal Structure Determination of Goat Hemoglobin (Capra Hircus) at 3 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 Determination of Goat Hemoglobin (Capra Hircus) at 3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:11.7 occ:1.00 FE D:HEM147 0.0 11.7 1.0 NB D:HEM147 2.0 10.1 1.0 NC D:HEM147 2.0 10.1 1.0 ND D:HEM147 2.0 9.8 1.0 NA D:HEM147 2.0 10.7 1.0 CE1 D:HIS92 2.2 39.2 1.0 C1C D:HEM147 2.9 10.9 1.0 C1A D:HEM147 2.9 9.8 1.0 C4B D:HEM147 2.9 10.3 1.0 C4D D:HEM147 3.0 8.3 1.0 NE2 D:HIS92 3.0 39.4 1.0 C4C D:HEM147 3.0 10.1 1.0 C1B D:HEM147 3.0 11.3 1.0 C1D D:HEM147 3.0 8.8 1.0 C4A D:HEM147 3.0 11.9 1.0 ND1 D:HIS92 3.3 39.3 1.0 CHA D:HEM147 3.3 8.6 1.0 CHC D:HEM147 3.3 10.8 1.0 CHD D:HEM147 3.4 9.6 1.0 CHB D:HEM147 3.5 11.6 1.0 CE1 D:HIS63 4.1 25.1 1.0 C2A D:HEM147 4.1 11.0 1.0 C2C D:HEM147 4.2 11.9 1.0 NE2 D:HIS63 4.2 24.5 1.0 C3B D:HEM147 4.2 11.5 1.0 C3A D:HEM147 4.2 12.1 1.0 C3C D:HEM147 4.2 13.0 1.0 C3D D:HEM147 4.2 8.6 1.0 C2B D:HEM147 4.2 11.1 1.0 CD2 D:HIS92 4.2 39.0 1.0 C2D D:HEM147 4.2 7.7 1.0 CG2 D:VAL67 4.4 23.8 1.0 CG D:HIS92 4.4 39.7 1.0 CZ D:PHE42 4.8 28.3 1.0

P.Sathya Moorthy, K.Neelagandan, M.Balasubramanian, M.N.Ponnuswamy. Purification, Crystallization and Preliminary X-Ray Diffraction Studies on Goat (Capra Hircus) Hemoglobin - A Low Oxygen Affinity Species Protein Pept.Lett. V. 16 454 2009.
ISSN: ISSN 0929-8665
PubMed: 19356147
DOI: 10.2174/092986609787847992