Iron in PDB 1ouu: Carbonmonoxy Trout Hemoglobin I

The structure of Carbonmonoxy Trout Hemoglobin I, PDB code: 1ouu was solved by J.Tame, J.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.200, 79.800, 122.900, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 28.6

The binding sites of Iron atom in the Carbonmonoxy Trout Hemoglobin I (pdb code 1ouu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Carbonmonoxy Trout Hemoglobin I, PDB code: 1ouu:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Carbonmonoxy Trout Hemoglobin I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Carbonmonoxy Trout Hemoglobin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:22.5 occ:1.00 FE A:HEM143 0.0 22.5 1.0 C A:CMO144 1.9 24.4 1.0 NA A:HEM143 2.0 20.8 1.0 NB A:HEM143 2.0 23.9 1.0 ND A:HEM143 2.0 21.5 1.0 NC A:HEM143 2.0 22.7 1.0 NE2 A:HIS88 2.2 21.4 1.0 O A:CMO144 3.0 26.9 1.0 C4A A:HEM143 3.0 24.8 1.0 C1A A:HEM143 3.0 20.1 1.0 C4D A:HEM143 3.1 21.2 1.0 C4B A:HEM143 3.1 21.4 1.0 C1B A:HEM143 3.1 23.7 1.0 C1C A:HEM143 3.1 23.3 1.0 C1D A:HEM143 3.1 17.8 1.0 C4C A:HEM143 3.1 21.8 1.0 CE1 A:HIS88 3.2 16.8 1.0 CD2 A:HIS88 3.2 12.3 1.0 CHA A:HEM143 3.4 22.0 1.0 CHC A:HEM143 3.4 20.5 1.0 CHB A:HEM143 3.4 24.1 1.0 CHD A:HEM143 3.4 17.6 1.0 C2A A:HEM143 4.2 23.9 1.0 C3A A:HEM143 4.2 24.0 1.0 C3D A:HEM143 4.3 21.4 1.0 ND1 A:HIS88 4.3 19.8 1.0 C3B A:HEM143 4.3 24.3 1.0 C2B A:HEM143 4.3 24.0 1.0 C2D A:HEM143 4.3 18.0 1.0 C2C A:HEM143 4.3 20.7 1.0 C3C A:HEM143 4.3 18.5 1.0 NE2 A:HIS59 4.3 19.1 1.0 CG A:HIS88 4.4 25.3 1.0 CE1 A:HIS59 4.9 18.9 1.0 CD1 A:LEU92 5.0 21.4 1.0

Iron binding site 2 out of 4 in the Carbonmonoxy Trout Hemoglobin I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Carbonmonoxy Trout Hemoglobin I within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:25.4 occ:1.00 FE B:HEM148 0.0 25.4 1.0 C B:CMO149 1.9 27.9 1.0 ND B:HEM148 2.0 27.1 1.0 NA B:HEM148 2.0 26.0 1.0 NB B:HEM148 2.0 28.2 1.0 NC B:HEM148 2.0 24.7 1.0 NE2 B:HIS92 2.2 26.0 1.0 O B:CMO149 3.0 35.8 1.0 C4D B:HEM148 3.0 31.7 1.0 C4A B:HEM148 3.0 27.5 1.0 C1B B:HEM148 3.1 28.2 1.0 C1D B:HEM148 3.1 29.1 1.0 C1A B:HEM148 3.1 25.4 1.0 C4B B:HEM148 3.1 29.2 1.0 C4C B:HEM148 3.1 24.4 1.0 C1C B:HEM148 3.1 24.7 1.0 CE1 B:HIS92 3.1 37.3 1.0 CD2 B:HIS92 3.2 29.4 1.0 CHA B:HEM148 3.4 27.5 1.0 CHD B:HEM148 3.4 29.7 1.0 CHB B:HEM148 3.4 29.5 1.0 CHC B:HEM148 3.5 28.1 1.0 ND1 B:HIS92 4.2 34.6 1.0 CG B:HIS92 4.3 31.8 1.0 C3D B:HEM148 4.3 33.9 1.0 C2A B:HEM148 4.3 32.5 1.0 C3A B:HEM148 4.3 30.1 1.0 C3B B:HEM148 4.3 27.6 1.0 C2B B:HEM148 4.3 29.6 1.0 C2D B:HEM148 4.3 28.0 1.0 C3C B:HEM148 4.3 24.8 1.0 C2C B:HEM148 4.3 23.7 1.0 NE2 B:HIS63 4.4 33.6 1.0 CE B:MET141 4.9 37.7 1.0 CG2 B:VAL67 5.0 27.1 1.0 CE1 B:HIS63 5.0 28.4 1.0

Iron binding site 3 out of 4 in the Carbonmonoxy Trout Hemoglobin I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Carbonmonoxy Trout Hemoglobin I within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe143 b:24.4 occ:1.00 FE C:HEM143 0.0 24.4 1.0 C C:CMO144 1.8 23.7 1.0 NC C:HEM143 2.0 23.9 1.0 NB C:HEM143 2.0 23.3 1.0 NA C:HEM143 2.0 20.7 1.0 ND C:HEM143 2.0 22.7 1.0 NE2 C:HIS88 2.3 20.0 1.0 O C:CMO144 2.9 33.5 1.0 C4B C:HEM143 3.0 24.0 1.0 C1C C:HEM143 3.0 24.2 1.0 C4A C:HEM143 3.0 19.4 1.0 C1A C:HEM143 3.1 17.5 1.0 C4C C:HEM143 3.1 22.8 1.0 C4D C:HEM143 3.1 22.8 1.0 C1D C:HEM143 3.1 23.8 1.0 C1B C:HEM143 3.1 19.6 1.0 CD2 C:HIS88 3.2 25.7 1.0 CE1 C:HIS88 3.4 20.1 1.0 CHC C:HEM143 3.4 21.4 1.0 CHA C:HEM143 3.4 20.4 1.0 CHD C:HEM143 3.4 23.2 1.0 CHB C:HEM143 3.5 16.4 1.0 C2A C:HEM143 4.3 19.4 1.0 C2C C:HEM143 4.3 23.1 1.0 C3A C:HEM143 4.3 20.2 1.0 C3C C:HEM143 4.3 21.5 1.0 C3D C:HEM143 4.3 25.0 1.0 C3B C:HEM143 4.3 26.8 1.0 C2D C:HEM143 4.3 24.6 1.0 C2B C:HEM143 4.3 25.1 1.0 CG C:HIS88 4.4 27.3 1.0 ND1 C:HIS88 4.4 23.4 1.0 NE2 C:HIS59 4.4 23.6 1.0 CD1 C:LEU92 4.9 23.9 1.0

Iron binding site 4 out of 4 in the Carbonmonoxy Trout Hemoglobin I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Carbonmonoxy Trout Hemoglobin I within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe148 b:25.6 occ:1.00 FE D:HEM148 0.0 25.6 1.0 C D:CMO149 1.8 27.9 1.0 ND D:HEM148 2.0 25.4 1.0 NA D:HEM148 2.0 28.3 1.0 NC D:HEM148 2.0 28.5 1.0 NB D:HEM148 2.0 24.3 1.0 NE2 D:HIS92 2.2 29.6 1.0 O D:CMO149 3.0 32.7 1.0 C4D D:HEM148 3.0 27.9 1.0 C4A D:HEM148 3.0 28.9 1.0 C1A D:HEM148 3.0 29.6 1.0 C1D D:HEM148 3.0 26.6 1.0 C4B D:HEM148 3.1 23.6 1.0 C1B D:HEM148 3.1 24.1 1.0 C4C D:HEM148 3.1 27.0 1.0 C1C D:HEM148 3.1 27.8 1.0 CD2 D:HIS92 3.1 32.8 1.0 CE1 D:HIS92 3.3 32.4 1.0 CHA D:HEM148 3.4 29.1 1.0 CHC D:HEM148 3.4 24.8 1.0 CHD D:HEM148 3.5 24.5 1.0 CHB D:HEM148 3.5 26.6 1.0 NE2 D:HIS63 4.1 33.5 1.0 C3D D:HEM148 4.2 31.1 1.0 C3A D:HEM148 4.2 30.6 1.0 C2A D:HEM148 4.2 30.3 1.0 C2D D:HEM148 4.3 26.4 1.0 C3B D:HEM148 4.3 26.4 1.0 CG D:HIS92 4.3 36.9 1.0 C2B D:HEM148 4.3 26.3 1.0 C3C D:HEM148 4.3 30.5 1.0 C2C D:HEM148 4.3 29.9 1.0 ND1 D:HIS92 4.3 37.2 1.0 CG2 D:VAL67 4.8 17.0 1.0 CE1 D:HIS63 4.9 35.0 1.0

J.R.Tame, J.C.Wilson, R.E.Weber. The Crystal Structures of Trout Hb I in the Deoxy and Carbonmonoxy Forms. J.Mol.Biol. V. 259 749 1996.
ISSN: ISSN 0022-2836
PubMed: 8683580
DOI: 10.1006/JMBI.1996.0355