Iron in PDB 1it3: Hagfish Co Ligand Hemoglobin

The structure of Hagfish Co Ligand Hemoglobin, PDB code: 1it3 was solved by M.Mito, K.T.Chong, S.-Y.Park, J.R.Tame, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.973, 150.636, 51.943, 90.00, 106.37, 90.00
R / Rfree (%)	19.6 / 28.5

The binding sites of Iron atom in the Hagfish Co Ligand Hemoglobin (pdb code 1it3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Hagfish Co Ligand Hemoglobin, PDB code: 1it3:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Hagfish Co Ligand Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hagfish Co Ligand Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:32.2 occ:1.00 FE A:HEM147 0.0 32.2 1.0 C A:CMO148 1.9 34.4 1.0 NC A:HEM147 2.0 33.1 1.0 NA A:HEM147 2.0 38.6 1.0 ND A:HEM147 2.0 40.5 1.0 NB A:HEM147 2.0 31.4 1.0 NE2 A:HIS103 2.4 31.1 1.0 O A:CMO148 3.0 38.5 1.0 C1C A:HEM147 3.1 32.4 1.0 C1A A:HEM147 3.1 39.8 1.0 C4A A:HEM147 3.1 39.4 1.0 C4B A:HEM147 3.1 27.0 1.0 C4D A:HEM147 3.1 41.3 1.0 C4C A:HEM147 3.1 33.5 1.0 C1D A:HEM147 3.1 36.1 1.0 C1B A:HEM147 3.1 28.1 1.0 CE1 A:HIS103 3.1 28.7 1.0 CHC A:HEM147 3.4 32.3 1.0 CHA A:HEM147 3.5 44.1 1.0 CHB A:HEM147 3.5 35.5 1.0 CD2 A:HIS103 3.5 27.6 1.0 CHD A:HEM147 3.5 34.3 1.0 C3A A:HEM147 4.3 40.9 1.0 C2C A:HEM147 4.3 33.2 1.0 C2A A:HEM147 4.3 42.2 1.0 C3C A:HEM147 4.3 35.0 1.0 C3D A:HEM147 4.3 40.9 1.0 C3B A:HEM147 4.3 24.6 1.0 C2D A:HEM147 4.3 39.0 1.0 C2B A:HEM147 4.4 26.7 1.0 ND1 A:HIS103 4.4 33.4 1.0 CG A:HIS103 4.5 30.7 1.0 OE1 A:GLN71 4.7 44.0 1.0

Iron binding site 2 out of 4 in the Hagfish Co Ligand Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hagfish Co Ligand Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe347 b:16.5 occ:1.00 FE B:HEM347 0.0 16.5 1.0 C B:CMO348 1.9 13.6 1.0 NB B:HEM347 2.0 17.6 1.0 NC B:HEM347 2.0 20.0 1.0 NA B:HEM347 2.0 16.3 1.0 ND B:HEM347 2.0 15.0 1.0 NE2 B:HIS303 2.3 10.6 1.0 O B:CMO348 3.0 19.2 1.0 C1B B:HEM347 3.0 19.7 1.0 C4C B:HEM347 3.0 16.2 1.0 C4B B:HEM347 3.1 15.5 1.0 C4A B:HEM347 3.1 15.1 1.0 C1D B:HEM347 3.1 13.1 1.0 C1C B:HEM347 3.1 16.0 1.0 C4D B:HEM347 3.1 14.2 1.0 C1A B:HEM347 3.1 15.1 1.0 CE1 B:HIS303 3.2 13.5 1.0 CD2 B:HIS303 3.3 11.6 1.0 CHD B:HEM347 3.4 12.4 1.0 CHB B:HEM347 3.5 14.8 1.0 CHC B:HEM347 3.5 16.1 1.0 CHA B:HEM347 3.5 8.0 1.0 C3B B:HEM347 4.3 18.3 1.0 C2B B:HEM347 4.3 18.7 1.0 C3C B:HEM347 4.3 15.1 1.0 C2C B:HEM347 4.3 11.9 1.0 C3A B:HEM347 4.3 13.6 1.0 C3D B:HEM347 4.3 12.4 1.0 C2A B:HEM347 4.3 13.1 1.0 C2D B:HEM347 4.3 11.6 1.0 ND1 B:HIS303 4.4 9.9 1.0 CG B:HIS303 4.4 13.5 1.0 NE2 B:GLN271 4.7 14.0 1.0

Iron binding site 3 out of 4 in the Hagfish Co Ligand Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Hagfish Co Ligand Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe547 b:17.1 occ:1.00 FE C:HEM547 0.0 17.1 1.0 C C:CMO548 1.9 20.0 1.0 ND C:HEM547 1.9 16.9 1.0 NC C:HEM547 2.0 17.7 1.0 NA C:HEM547 2.0 18.3 1.0 NB C:HEM547 2.0 17.6 1.0 NE2 C:HIS503 2.2 14.7 1.0 C1D C:HEM547 3.0 16.1 1.0 C4D C:HEM547 3.0 15.1 1.0 CE1 C:HIS503 3.0 16.1 1.0 O C:CMO548 3.0 24.7 1.0 C4C C:HEM547 3.0 19.0 1.0 C4A C:HEM547 3.1 19.2 1.0 C1B C:HEM547 3.1 17.6 1.0 C1A C:HEM547 3.1 16.9 1.0 C1C C:HEM547 3.1 16.1 1.0 C4B C:HEM547 3.1 17.2 1.0 CD2 C:HIS503 3.4 11.1 1.0 CHD C:HEM547 3.4 18.8 1.0 CHA C:HEM547 3.5 14.3 1.0 CHB C:HEM547 3.5 17.8 1.0 CHC C:HEM547 3.5 16.4 1.0 C3D C:HEM547 4.2 17.1 1.0 C2D C:HEM547 4.2 14.1 1.0 C3A C:HEM547 4.3 20.2 1.0 C2A C:HEM547 4.3 17.7 1.0 ND1 C:HIS503 4.3 12.3 1.0 C3C C:HEM547 4.3 20.8 1.0 C2B C:HEM547 4.3 15.2 1.0 C2C C:HEM547 4.3 18.0 1.0 C3B C:HEM547 4.3 13.9 1.0 CG C:HIS503 4.4 15.4 1.0 NE2 C:GLN471 4.6 20.2 1.0

Iron binding site 4 out of 4 in the Hagfish Co Ligand Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Hagfish Co Ligand Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe747 b:14.9 occ:1.00 FE D:HEM747 0.0 14.9 1.0 C D:CMO748 1.9 19.9 1.0 NC D:HEM747 2.0 11.0 1.0 NA D:HEM747 2.0 16.0 1.0 ND D:HEM747 2.0 15.4 1.0 NB D:HEM747 2.0 16.5 1.0 NE2 D:HIS703 2.2 13.8 1.0 C1C D:HEM747 3.0 13.2 1.0 C4C D:HEM747 3.0 11.3 1.0 C1A D:HEM747 3.0 18.1 1.0 O D:CMO748 3.0 25.6 1.0 C1D D:HEM747 3.1 13.3 1.0 C4D D:HEM747 3.1 17.2 1.0 C4B D:HEM747 3.1 14.6 1.0 C4A D:HEM747 3.1 18.2 1.0 C1B D:HEM747 3.1 13.8 1.0 CE1 D:HIS703 3.1 15.3 1.0 CD2 D:HIS703 3.3 15.0 1.0 CHC D:HEM747 3.4 14.6 1.0 CHD D:HEM747 3.5 11.3 1.0 CHA D:HEM747 3.5 17.5 1.0 CHB D:HEM747 3.5 16.1 1.0 C2A D:HEM747 4.2 17.1 1.0 C2C D:HEM747 4.3 10.5 1.0 C3C D:HEM747 4.3 10.4 1.0 C3A D:HEM747 4.3 18.3 1.0 C2D D:HEM747 4.3 14.0 1.0 C3D D:HEM747 4.3 14.6 1.0 C3B D:HEM747 4.3 13.7 1.0 ND1 D:HIS703 4.3 13.1 1.0 C2B D:HEM747 4.3 13.9 1.0 CG D:HIS703 4.4 12.9 1.0 NE2 D:GLN671 4.7 19.9 1.0

M.Mito, K.T.Chong, G.Miyazaki, S.Adachi, S.-Y.Park, J.R.Tame, H.Morimoto. Crystal Structures of Deoxy- and Carbonmonoxyhemoglobin F1 From the Hagfish Eptatretus Burgeri J.Biol.Chem. V. 277 21898 2002.
ISSN: ISSN 0021-9258
PubMed: 11923284
DOI: 10.1074/JBC.M111492200