Iron in PDB 1a9w: Human Embryonic Gower II Carbonmonoxy Hemoglobin

The structure of Human Embryonic Gower II Carbonmonoxy Hemoglobin, PDB code: 1a9w was solved by A.J.Sutherland-Smith, H.M.Baker, O.M.Hofmann, T.Brittain, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.800, 62.800, 320.900, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 23.2

The binding sites of Iron atom in the Human Embryonic Gower II Carbonmonoxy Hemoglobin (pdb code 1a9w). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Human Embryonic Gower II Carbonmonoxy Hemoglobin, PDB code: 1a9w:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Human Embryonic Gower II Carbonmonoxy Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Embryonic Gower II Carbonmonoxy Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:37.2 occ:1.00 FE A:HEM142 0.0 37.2 1.0 C A:CMO143 1.8 21.1 1.0 NA A:HEM142 2.0 37.2 1.0 NC A:HEM142 2.0 37.2 1.0 ND A:HEM142 2.0 37.2 1.0 NB A:HEM142 2.0 37.2 1.0 NE2 A:HIS87 2.1 22.3 1.0 O A:CMO143 2.9 21.1 1.0 CE1 A:HIS87 3.0 22.3 1.0 C1A A:HEM142 3.0 37.2 1.0 C4D A:HEM142 3.0 37.2 1.0 C4B A:HEM142 3.0 37.2 1.0 C1B A:HEM142 3.0 37.2 1.0 C1C A:HEM142 3.0 37.2 1.0 C1D A:HEM142 3.0 37.2 1.0 C4C A:HEM142 3.1 37.2 1.0 C4A A:HEM142 3.1 37.2 1.0 CD2 A:HIS87 3.2 22.3 1.0 CHD A:HEM142 3.3 37.2 1.0 CHC A:HEM142 3.4 37.2 1.0 CHA A:HEM142 3.4 37.2 1.0 CHB A:HEM142 3.4 37.2 1.0 ND1 A:HIS87 4.2 22.3 1.0 C2D A:HEM142 4.2 37.2 1.0 C3D A:HEM142 4.2 37.2 1.0 C2B A:HEM142 4.2 37.2 1.0 C3A A:HEM142 4.2 37.2 1.0 C2A A:HEM142 4.3 37.2 1.0 C3B A:HEM142 4.3 37.2 1.0 C3C A:HEM142 4.3 37.2 1.0 CG A:HIS87 4.3 22.3 1.0 C2C A:HEM142 4.3 37.2 1.0 NE2 A:HIS58 4.3 37.8 1.0

Iron binding site 2 out of 4 in the Human Embryonic Gower II Carbonmonoxy Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Embryonic Gower II Carbonmonoxy Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe147 b:77.8 occ:1.00 FE E:HEM147 0.0 77.8 1.0 C E:CMO148 1.8 40.5 1.0 NA E:HEM147 2.0 77.8 1.0 NC E:HEM147 2.0 77.8 1.0 NB E:HEM147 2.0 77.8 1.0 ND E:HEM147 2.0 77.8 1.0 NE2 E:HIS92 2.1 52.7 1.0 O E:CMO148 3.0 40.5 1.0 C4B E:HEM147 3.0 77.8 1.0 C4D E:HEM147 3.0 77.8 1.0 C1A E:HEM147 3.0 77.8 1.0 C1B E:HEM147 3.0 77.8 1.0 C1C E:HEM147 3.0 77.8 1.0 C1D E:HEM147 3.1 77.8 1.0 C4C E:HEM147 3.1 77.8 1.0 CE1 E:HIS92 3.1 52.7 1.0 C4A E:HEM147 3.1 77.8 1.0 CD2 E:HIS92 3.2 52.7 1.0 CHD E:HEM147 3.3 77.8 1.0 CHC E:HEM147 3.4 77.8 1.0 CHA E:HEM147 3.4 77.8 1.0 CHB E:HEM147 3.4 77.8 1.0 C2D E:HEM147 4.2 77.8 1.0 C2B E:HEM147 4.2 77.8 1.0 ND1 E:HIS92 4.3 52.7 1.0 C3D E:HEM147 4.3 77.8 1.0 C3A E:HEM147 4.3 77.8 1.0 C3B E:HEM147 4.3 77.8 1.0 C3C E:HEM147 4.3 77.8 1.0 C2A E:HEM147 4.3 77.8 1.0 C2C E:HEM147 4.3 77.8 1.0 CG E:HIS92 4.3 52.7 1.0 NE2 E:HIS63 4.4 59.8 1.0

Iron binding site 3 out of 4 in the Human Embryonic Gower II Carbonmonoxy Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Human Embryonic Gower II Carbonmonoxy Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:39.4 occ:1.00 FE C:HEM142 0.0 39.4 1.0 C C:CMO143 1.8 38.6 1.0 NA C:HEM142 2.0 39.4 1.0 NC C:HEM142 2.0 39.4 1.0 ND C:HEM142 2.0 39.4 1.0 NB C:HEM142 2.0 39.4 1.0 NE2 C:HIS87 2.1 28.2 1.0 O C:CMO143 2.9 38.6 1.0 C4D C:HEM142 3.0 39.4 1.0 CE1 C:HIS87 3.0 28.2 1.0 C1A C:HEM142 3.0 39.4 1.0 C4B C:HEM142 3.0 39.4 1.0 C1D C:HEM142 3.0 39.4 1.0 C1B C:HEM142 3.0 39.4 1.0 C1C C:HEM142 3.0 39.4 1.0 C4C C:HEM142 3.1 39.4 1.0 C4A C:HEM142 3.1 39.4 1.0 CD2 C:HIS87 3.2 28.2 1.0 CHD C:HEM142 3.3 39.4 1.0 CHC C:HEM142 3.4 39.4 1.0 CHA C:HEM142 3.4 39.4 1.0 CHB C:HEM142 3.4 39.4 1.0 ND1 C:HIS87 4.2 28.2 1.0 C2D C:HEM142 4.2 39.4 1.0 C3D C:HEM142 4.2 39.4 1.0 C2B C:HEM142 4.2 39.4 1.0 C3A C:HEM142 4.3 39.4 1.0 C2A C:HEM142 4.3 39.4 1.0 C3C C:HEM142 4.3 39.4 1.0 C3B C:HEM142 4.3 39.4 1.0 CG C:HIS87 4.3 28.2 1.0 C2C C:HEM142 4.3 39.4 1.0 NE2 C:HIS58 4.3 45.4 1.0

Iron binding site 4 out of 4 in the Human Embryonic Gower II Carbonmonoxy Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Human Embryonic Gower II Carbonmonoxy Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe147 b:59.5 occ:1.00 FE F:HEM147 0.0 59.5 1.0 C F:CMO148 1.8 43.6 1.0 NA F:HEM147 2.0 59.5 1.0 NB F:HEM147 2.0 59.5 1.0 NC F:HEM147 2.0 59.5 1.0 ND F:HEM147 2.0 59.5 1.0 NE2 F:HIS92 2.1 43.4 1.0 O F:CMO148 3.0 43.6 1.0 C4B F:HEM147 3.0 59.5 1.0 C4D F:HEM147 3.0 59.5 1.0 C1A F:HEM147 3.0 59.5 1.0 C1B F:HEM147 3.0 59.5 1.0 C1C F:HEM147 3.1 59.5 1.0 C1D F:HEM147 3.1 59.5 1.0 C4C F:HEM147 3.1 59.5 1.0 CE1 F:HIS92 3.1 43.4 1.0 C4A F:HEM147 3.1 59.5 1.0 CD2 F:HIS92 3.2 43.4 1.0 CHD F:HEM147 3.3 59.5 1.0 CHC F:HEM147 3.4 59.5 1.0 CHA F:HEM147 3.4 59.5 1.0 CHB F:HEM147 3.4 59.5 1.0 C2D F:HEM147 4.2 59.5 1.0 C2B F:HEM147 4.2 59.5 1.0 ND1 F:HIS92 4.3 43.4 1.0 C3D F:HEM147 4.3 59.5 1.0 C3A F:HEM147 4.3 59.5 1.0 C3B F:HEM147 4.3 59.5 1.0 C2A F:HEM147 4.3 59.5 1.0 C3C F:HEM147 4.3 59.5 1.0 CG F:HIS92 4.3 43.4 1.0 C2C F:HEM147 4.3 59.5 1.0 NE2 F:HIS63 4.4 48.5 1.0

A.J.Sutherland-Smith, H.M.Baker, O.M.Hofmann, T.Brittain, E.N.Baker. Crystal Structure of A Human Embryonic Haemoglobin: the Carbonmonoxy Form of Gower II (ALPHA2 EPSILON2) Haemoglobin at 2.9 A Resolution. J.Mol.Biol. V. 280 475 1998.
ISSN: ISSN 0022-2836
PubMed: 9665850
DOI: 10.1006/JMBI.1998.1868