Iron in PDB 6hit: The Crystal Structure of Haemoglobin From Atlantic Cod

The structure of The Crystal Structure of Haemoglobin From Atlantic Cod, PDB code: 6hit was solved by R.Helland, E.K.Bjorkeng, U.Rothweiler, M.O.Sydnes, D.M.Pampanin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.691, 103.257, 199.352, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 30.1

The binding sites of Iron atom in the The Crystal Structure of Haemoglobin From Atlantic Cod (pdb code 6hit). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the The Crystal Structure of Haemoglobin From Atlantic Cod, PDB code: 6hit:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the The Crystal Structure of Haemoglobin From Atlantic Cod


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Haemoglobin From Atlantic Cod within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:38.4 occ:1.00 FE A:HEM201 0.0 38.4 1.0 ND A:HEM201 1.9 39.5 1.0 NA A:HEM201 2.0 37.0 1.0 NC A:HEM201 2.1 37.8 1.0 NB A:HEM201 2.1 37.4 1.0 NE2 A:HIS89 2.3 34.8 1.0 C1D A:HEM201 2.9 36.1 1.0 C4D A:HEM201 2.9 37.2 1.0 C1A A:HEM201 3.0 37.8 1.0 C4A A:HEM201 3.0 38.4 1.0 C4B A:HEM201 3.0 35.6 1.0 C4C A:HEM201 3.1 39.1 1.0 C1B A:HEM201 3.1 36.1 1.0 C1C A:HEM201 3.1 38.7 1.0 CD2 A:HIS89 3.1 36.6 1.0 CE1 A:HIS89 3.3 37.8 1.0 CHD A:HEM201 3.4 36.9 1.0 CHA A:HEM201 3.4 38.6 1.0 CHB A:HEM201 3.4 36.7 1.0 CHC A:HEM201 3.4 36.3 1.0 C3A A:HEM201 4.2 37.6 1.0 C2A A:HEM201 4.2 41.2 1.0 C2D A:HEM201 4.2 37.9 1.0 NE2 A:HIS60 4.2 44.8 1.0 C3D A:HEM201 4.2 38.5 1.0 C3C A:HEM201 4.3 40.8 1.0 C2C A:HEM201 4.3 40.7 1.0 C2B A:HEM201 4.3 36.3 1.0 C3B A:HEM201 4.3 37.0 1.0 CG A:HIS89 4.3 35.6 1.0 ND1 A:HIS89 4.4 33.8 1.0 CE1 A:HIS60 4.5 49.9 1.0 CG1 A:ILE64 5.0 42.9 1.0

Iron binding site 2 out of 8 in the The Crystal Structure of Haemoglobin From Atlantic Cod


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of Haemoglobin From Atlantic Cod within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:65.3 occ:1.00 FE B:HEM201 0.0 65.3 1.0 ND B:HEM201 1.9 70.3 1.0 NA B:HEM201 2.0 77.2 1.0 NC B:HEM201 2.1 73.4 1.0 NB B:HEM201 2.1 64.7 1.0 NE2 B:HIS93 2.2 72.6 1.0 C1D B:HEM201 2.9 74.8 1.0 C4D B:HEM201 2.9 71.3 1.0 C1A B:HEM201 3.0 75.0 1.0 C4B B:HEM201 3.0 64.4 1.0 C4A B:HEM201 3.1 77.0 1.0 C1B B:HEM201 3.1 63.1 1.0 C4C B:HEM201 3.1 70.3 1.0 C1C B:HEM201 3.1 67.9 1.0 CE1 B:HIS93 3.1 76.9 1.0 CD2 B:HIS93 3.2 77.8 1.0 CHD B:HEM201 3.4 71.8 1.0 CHA B:HEM201 3.4 74.0 1.0 CHB B:HEM201 3.4 68.7 1.0 CHC B:HEM201 3.4 65.4 1.0 NE2 B:HIS64 4.1 77.0 1.0 C2D B:HEM201 4.2 74.1 1.0 C3D B:HEM201 4.2 74.5 1.0 C2A B:HEM201 4.2 81.8 1.0 ND1 B:HIS93 4.3 75.4 1.0 C3A B:HEM201 4.3 81.7 1.0 C2B B:HEM201 4.3 63.9 1.0 C2C B:HEM201 4.3 69.7 1.0 C3C B:HEM201 4.3 74.0 1.0 C3B B:HEM201 4.3 66.2 1.0 CG B:HIS93 4.3 69.8 1.0 CE1 B:HIS64 4.6 77.4 1.0 CG1 B:ILE68 4.7 60.8 1.0

Iron binding site 3 out of 8 in the The Crystal Structure of Haemoglobin From Atlantic Cod


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystal Structure of Haemoglobin From Atlantic Cod within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:36.6 occ:1.00 FE C:HEM201 0.0 36.6 1.0 ND C:HEM201 1.9 35.6 1.0 NA C:HEM201 2.0 35.2 1.0 NB C:HEM201 2.1 33.4 1.0 NC C:HEM201 2.1 34.6 1.0 NE2 C:HIS89 2.2 31.5 1.0 C1D C:HEM201 2.9 32.4 1.0 C4D C:HEM201 2.9 36.0 1.0 C4A C:HEM201 3.0 34.6 1.0 C1A C:HEM201 3.0 36.2 1.0 C1B C:HEM201 3.0 34.0 1.0 C4C C:HEM201 3.0 34.7 1.0 C4B C:HEM201 3.1 37.1 1.0 C1C C:HEM201 3.1 34.3 1.0 CE1 C:HIS89 3.1 30.5 1.0 CD2 C:HIS89 3.2 33.4 1.0 CHD C:HEM201 3.4 33.9 1.0 CHB C:HEM201 3.4 33.6 1.0 CHA C:HEM201 3.4 35.1 1.0 CHC C:HEM201 3.5 34.1 1.0 C2D C:HEM201 4.2 33.3 1.0 C3D C:HEM201 4.2 36.3 1.0 C3A C:HEM201 4.2 37.2 1.0 C2A C:HEM201 4.2 40.6 1.0 ND1 C:HIS89 4.2 29.2 1.0 C3C C:HEM201 4.3 34.8 1.0 C2B C:HEM201 4.3 35.8 1.0 CG C:HIS89 4.3 30.1 1.0 C2C C:HEM201 4.3 33.5 1.0 NE2 C:HIS60 4.3 41.5 1.0 C3B C:HEM201 4.3 37.4 1.0 CD1 C:ILE64 4.4 35.2 1.0 CG1 C:ILE64 4.5 33.5 1.0

Iron binding site 4 out of 8 in the The Crystal Structure of Haemoglobin From Atlantic Cod


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Crystal Structure of Haemoglobin From Atlantic Cod within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:41.8 occ:1.00 FE D:HEM201 0.0 41.8 1.0 ND D:HEM201 1.9 46.4 1.0 NA D:HEM201 2.0 45.3 1.0 NE2 D:HIS93 2.1 44.8 1.0 NB D:HEM201 2.1 41.8 1.0 NC D:HEM201 2.1 47.3 1.0 CE1 D:HIS93 2.9 46.2 1.0 C4D D:HEM201 2.9 46.6 1.0 C1D D:HEM201 2.9 48.4 1.0 C4B D:HEM201 3.0 43.6 1.0 C1A D:HEM201 3.0 38.4 1.0 CD1 D:ILE68 3.0 65.8 1.0 C1C D:HEM201 3.1 43.5 1.0 C4A D:HEM201 3.1 44.4 1.0 C4C D:HEM201 3.1 48.3 1.0 C1B D:HEM201 3.1 44.8 1.0 CD2 D:HIS93 3.2 42.6 1.0 CHC D:HEM201 3.4 44.8 1.0 CHA D:HEM201 3.4 39.4 1.0 CHD D:HEM201 3.4 49.2 1.0 CHB D:HEM201 3.5 43.4 1.0 CG1 D:ILE68 3.6 72.2 1.0 ND1 D:HIS93 4.1 46.6 1.0 NE2 D:HIS64 4.1 47.8 1.0 C3D D:HEM201 4.2 50.3 1.0 C2D D:HEM201 4.2 52.6 1.0 C2A D:HEM201 4.2 44.7 1.0 C2C D:HEM201 4.2 45.3 1.0 CG D:HIS93 4.3 44.1 1.0 C3A D:HEM201 4.3 40.3 1.0 C3C D:HEM201 4.3 47.4 1.0 C3B D:HEM201 4.3 45.2 1.0 C2B D:HEM201 4.3 46.3 1.0 CE1 D:HIS64 4.8 54.4 1.0 CB D:ILE68 5.0 60.1 1.0

Iron binding site 5 out of 8 in the The Crystal Structure of Haemoglobin From Atlantic Cod


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Crystal Structure of Haemoglobin From Atlantic Cod within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe201 b:71.1 occ:1.00 FE E:HEM201 0.0 71.1 1.0 ND E:HEM201 1.9 84.4 1.0 NA E:HEM201 2.0 88.0 1.0 NE2 E:HIS89 2.1 57.0 1.0 NC E:HEM201 2.1 73.9 1.0 NB E:HEM201 2.1 79.8 1.0 C4D E:HEM201 2.9 80.5 1.0 C1D E:HEM201 2.9 80.6 1.0 C1A E:HEM201 3.0 85.3 1.0 CE1 E:HIS89 3.0 59.5 1.0 C4B E:HEM201 3.0 73.8 1.0 C4A E:HEM201 3.1 94.8 1.0 C4C E:HEM201 3.1 69.6 1.0 C1B E:HEM201 3.1 82.5 1.0 CD2 E:HIS89 3.1 57.2 1.0 C1C E:HEM201 3.1 72.1 1.0 CHA E:HEM201 3.4 82.1 1.0 CHD E:HEM201 3.4 75.1 1.0 CHC E:HEM201 3.4 68.2 1.0 CHB E:HEM201 3.5 88.9 1.0 ND1 E:HIS89 4.2 57.3 1.0 C3D E:HEM201 4.2 86.7 1.0 C2D E:HEM201 4.2 83.6 1.0 CG E:HIS89 4.2 57.0 1.0 C2A E:HEM201 4.2 95.5 1.0 C3A E:HEM201 4.2 96.1 1.0 C3C E:HEM201 4.3 73.3 1.0 C2C E:HEM201 4.3 73.3 1.0 C2B E:HEM201 4.3 76.8 1.0 C3B E:HEM201 4.3 72.8 1.0 NE2 E:HIS60 4.4 89.2 1.0 CE1 E:HIS60 4.8 87.2 1.0 CG1 E:ILE64 4.8 85.7 1.0

Iron binding site 6 out of 8 in the The Crystal Structure of Haemoglobin From Atlantic Cod


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The Crystal Structure of Haemoglobin From Atlantic Cod within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe201 b:49.4 occ:1.00 FE F:HEM201 0.0 49.4 1.0 ND F:HEM201 1.9 52.6 1.0 NA F:HEM201 2.0 49.0 1.0 NC F:HEM201 2.1 48.6 1.0 NB F:HEM201 2.1 51.1 1.0 NE2 F:HIS93 2.2 61.6 1.0 C4D F:HEM201 2.9 50.6 1.0 C1D F:HEM201 2.9 49.9 1.0 C1A F:HEM201 3.0 52.7 1.0 C4A F:HEM201 3.0 48.2 1.0 C4C F:HEM201 3.0 49.0 1.0 C4B F:HEM201 3.0 51.6 1.0 C1C F:HEM201 3.1 55.6 1.0 C1B F:HEM201 3.1 48.6 1.0 CE1 F:HIS93 3.2 62.2 1.0 CD2 F:HIS93 3.2 67.1 1.0 CHA F:HEM201 3.4 51.7 1.0 CHD F:HEM201 3.4 49.8 1.0 CHB F:HEM201 3.4 50.1 1.0 CHC F:HEM201 3.4 54.4 1.0 NE2 F:HIS64 4.0 50.6 1.0 C3D F:HEM201 4.2 53.2 1.0 C3A F:HEM201 4.2 49.2 1.0 C2D F:HEM201 4.2 50.5 1.0 C2A F:HEM201 4.2 52.4 1.0 C3C F:HEM201 4.2 53.2 1.0 C2C F:HEM201 4.2 57.2 1.0 C2B F:HEM201 4.3 48.1 1.0 C3B F:HEM201 4.3 49.4 1.0 ND1 F:HIS93 4.3 63.3 1.0 CG F:HIS93 4.4 68.6 1.0 CE1 F:HIS64 4.5 52.7 1.0 CG1 F:ILE68 4.7 38.9 1.0

Iron binding site 7 out of 8 in the The Crystal Structure of Haemoglobin From Atlantic Cod


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of The Crystal Structure of Haemoglobin From Atlantic Cod within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe201 b:55.9 occ:1.00 FE G:HEM201 0.0 55.9 1.0 ND G:HEM201 1.9 55.3 1.0 NA G:HEM201 2.0 58.8 1.0 NC G:HEM201 2.1 53.4 1.0 NB G:HEM201 2.1 56.6 1.0 NE2 G:HIS89 2.1 58.8 1.0 C4D G:HEM201 2.9 57.5 1.0 C1D G:HEM201 2.9 55.0 1.0 C1A G:HEM201 3.0 55.3 1.0 C4B G:HEM201 3.0 60.8 1.0 C4A G:HEM201 3.1 56.0 1.0 C4C G:HEM201 3.1 51.2 1.0 C1B G:HEM201 3.1 57.1 1.0 C1C G:HEM201 3.1 52.8 1.0 CE1 G:HIS89 3.1 56.0 1.0 CD2 G:HIS89 3.2 59.0 1.0 CHA G:HEM201 3.4 55.0 1.0 CHD G:HEM201 3.4 52.8 1.0 CHC G:HEM201 3.4 55.9 1.0 CHB G:HEM201 3.5 56.3 1.0 NE2 G:HIS60 4.0 70.8 1.0 C2D G:HEM201 4.2 58.0 1.0 C3D G:HEM201 4.2 58.3 1.0 C2A G:HEM201 4.2 58.0 1.0 ND1 G:HIS89 4.2 53.7 1.0 C3A G:HEM201 4.2 53.5 1.0 C2C G:HEM201 4.3 53.0 1.0 C3C G:HEM201 4.3 49.9 1.0 CG G:HIS89 4.3 53.9 1.0 C2B G:HEM201 4.3 57.3 1.0 C3B G:HEM201 4.3 60.2 1.0 CG1 G:ILE64 4.6 62.6 1.0 CE1 G:HIS60 4.7 75.1 1.0 CD1 G:ILE64 4.9 66.1 1.0

Iron binding site 8 out of 8 in the The Crystal Structure of Haemoglobin From Atlantic Cod


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of The Crystal Structure of Haemoglobin From Atlantic Cod within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe201 b:65.7 occ:1.00 FE H:HEM201 0.0 65.7 1.0 ND H:HEM201 1.9 60.2 1.0 NA H:HEM201 2.0 63.1 1.0 NC H:HEM201 2.1 61.5 1.0 NB H:HEM201 2.1 55.3 1.0 NE2 H:HIS93 2.4 99.9 1.0 C1D H:HEM201 2.9 61.9 1.0 C4D H:HEM201 2.9 66.4 1.0 C1A H:HEM201 3.0 66.5 1.0 C4A H:HEM201 3.0 64.6 1.0 C4B H:HEM201 3.0 55.7 1.0 C1B H:HEM201 3.0 57.2 1.0 C4C H:HEM201 3.1 60.5 1.0 C1C H:HEM201 3.1 55.7 1.0 CD2 H:HIS93 3.3 96.3 1.0 CHA H:HEM201 3.4 68.3 1.0 CHD H:HEM201 3.4 64.0 1.0 CHB H:HEM201 3.4 66.0 1.0 CE1 H:HIS93 3.4 94.9 1.0 CHC H:HEM201 3.4 53.3 1.0 NE2 H:HIS64 4.1 87.9 1.0 C2D H:HEM201 4.2 64.1 1.0 C3A H:HEM201 4.2 66.1 1.0 C2A H:HEM201 4.2 73.7 1.0 C3D H:HEM201 4.2 67.2 1.0 C2B H:HEM201 4.3 57.0 1.0 C2C H:HEM201 4.3 54.4 1.0 C3C H:HEM201 4.3 52.9 1.0 C3B H:HEM201 4.3 58.7 1.0 ND1 H:HIS93 4.5 91.0 1.0 CG H:HIS93 4.5 92.8 1.0 CE1 H:HIS64 4.7 91.1 1.0 CB H:ILE68 5.0 78.0 1.0

R.Helland, E.K.Bjorkeng, U.Rothweiler, M.O.Sydnes, D.M.Pampanin. The Crystal Structure of Haemoglobin From Atlantic Cod. Acta Crystallogr.,Sect.F V. 75 537 2019.
ISSN: ESSN 2053-230X
PubMed: 31397324
DOI: 10.1107/S2053230X1900904X