Iron in PDB 1mko: A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution

The structure of A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution, PDB code: 1mko was solved by M.K.Safo, D.J.Abraham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.18
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.530, 154.570, 55.270, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 28.4

The binding sites of Iron atom in the A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution (pdb code 1mko). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution, PDB code: 1mko:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:24.3 occ:1.00 FE A:HEM143 0.0 24.3 1.0 C A:CMO142 1.9 23.1 1.0 ND A:HEM143 2.0 22.1 1.0 NC A:HEM143 2.0 21.9 1.0 NB A:HEM143 2.0 18.9 1.0 NE2 A:HIS87 2.0 20.5 1.0 NA A:HEM143 2.1 22.8 1.0 CD2 A:HIS87 3.0 16.1 1.0 C4D A:HEM143 3.0 22.0 1.0 C1D A:HEM143 3.0 21.1 1.0 C1A A:HEM143 3.1 23.2 1.0 C4B A:HEM143 3.1 17.6 1.0 C1C A:HEM143 3.1 16.6 1.0 CE1 A:HIS87 3.1 24.9 1.0 C1B A:HEM143 3.1 20.5 1.0 C4C A:HEM143 3.1 21.1 1.0 C4A A:HEM143 3.1 20.7 1.0 O A:CMO142 3.1 28.1 1.0 CHA A:HEM143 3.4 22.6 1.0 CHC A:HEM143 3.4 19.7 1.0 CHD A:HEM143 3.5 18.8 1.0 CHB A:HEM143 3.5 14.1 1.0 CG A:HIS87 4.2 23.6 1.0 ND1 A:HIS87 4.2 19.9 1.0 C3D A:HEM143 4.2 19.3 1.0 C2D A:HEM143 4.2 17.7 1.0 C2C A:HEM143 4.3 15.7 1.0 C2A A:HEM143 4.3 19.6 1.0 C3A A:HEM143 4.3 19.9 1.0 C3B A:HEM143 4.3 21.1 1.0 C2B A:HEM143 4.4 21.0 1.0 C3C A:HEM143 4.4 18.1 1.0 NE2 A:HIS58 4.4 28.6 1.0 CG2 A:VAL62 4.7 25.9 1.0

Iron binding site 2 out of 4 in the A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:26.1 occ:1.00 FE B:HEM148 0.0 26.1 1.0 C B:CMO147 1.8 16.9 1.0 ND B:HEM148 2.0 23.0 1.0 NB B:HEM148 2.0 24.2 1.0 NC B:HEM148 2.0 22.7 1.0 NE2 B:HIS92 2.1 22.7 1.0 NA B:HEM148 2.1 24.6 1.0 C4C B:HEM148 3.0 15.8 1.0 O B:CMO147 3.0 20.8 1.0 C4D B:HEM148 3.0 27.3 1.0 CE1 B:HIS92 3.0 30.1 1.0 C1D B:HEM148 3.0 22.3 1.0 C1C B:HEM148 3.1 16.6 1.0 C1B B:HEM148 3.1 29.1 1.0 C1A B:HEM148 3.1 21.3 1.0 C4A B:HEM148 3.1 21.8 1.0 C4B B:HEM148 3.1 25.8 1.0 CD2 B:HIS92 3.2 28.8 1.0 CHD B:HEM148 3.4 21.4 1.0 CHA B:HEM148 3.4 18.2 1.0 CHB B:HEM148 3.4 29.2 1.0 CHC B:HEM148 3.5 17.4 1.0 C2D B:HEM148 4.2 19.4 1.0 ND1 B:HIS92 4.2 28.5 1.0 C3D B:HEM148 4.2 24.1 1.0 C3C B:HEM148 4.3 18.4 1.0 C2C B:HEM148 4.3 17.3 1.0 C2B B:HEM148 4.3 25.4 1.0 C3A B:HEM148 4.3 24.4 1.0 CG B:HIS92 4.3 28.9 1.0 C2A B:HEM148 4.4 27.1 1.0 C3B B:HEM148 4.4 21.1 1.0 NE2 B:HIS63 4.4 19.2 1.0 CG2 B:VAL67 4.8 19.9 1.0

Iron binding site 3 out of 4 in the A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe143 b:26.2 occ:1.00 FE C:HEM143 0.0 26.2 1.0 C C:CMO142 1.8 20.0 1.0 NB C:HEM143 2.0 23.4 1.0 ND C:HEM143 2.0 23.9 1.0 NC C:HEM143 2.0 28.1 1.0 NE2 C:HIS87 2.0 21.1 1.0 NA C:HEM143 2.1 28.4 1.0 C4B C:HEM143 3.0 29.1 1.0 CD2 C:HIS87 3.0 23.7 1.0 CE1 C:HIS87 3.0 23.9 1.0 C1C C:HEM143 3.0 28.0 1.0 C1D C:HEM143 3.0 23.9 1.0 C1B C:HEM143 3.0 28.6 1.0 O C:CMO142 3.1 29.4 1.0 C4A C:HEM143 3.1 24.1 1.0 C4C C:HEM143 3.1 24.8 1.0 C4D C:HEM143 3.1 27.8 1.0 C1A C:HEM143 3.2 24.9 1.0 CHC C:HEM143 3.4 28.2 1.0 CHB C:HEM143 3.4 30.3 1.0 CHD C:HEM143 3.5 20.4 1.0 CHA C:HEM143 3.6 20.4 1.0 ND1 C:HIS87 4.2 20.0 1.0 CG C:HIS87 4.2 22.8 1.0 C2D C:HEM143 4.2 23.9 1.0 C2B C:HEM143 4.3 29.9 1.0 C3A C:HEM143 4.3 26.7 1.0 C3B C:HEM143 4.3 29.2 1.0 C2C C:HEM143 4.3 28.8 1.0 C3C C:HEM143 4.3 26.2 1.0 NE2 C:HIS58 4.3 34.6 1.0 C3D C:HEM143 4.3 24.5 1.0 C2A C:HEM143 4.4 24.3 1.0 CG2 C:VAL62 5.0 32.1 1.0

Iron binding site 4 out of 4 in the A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe148 b:24.4 occ:1.00 FE D:HEM148 0.0 24.4 1.0 C D:CMO147 1.8 19.4 1.0 ND D:HEM148 2.0 23.8 1.0 NB D:HEM148 2.0 22.9 1.0 NC D:HEM148 2.0 25.0 1.0 NA D:HEM148 2.1 21.9 1.0 NE2 D:HIS92 2.1 22.8 1.0 O D:CMO147 2.9 22.7 1.0 C1D D:HEM148 3.0 23.7 1.0 CD2 D:HIS92 3.0 17.2 1.0 C4D D:HEM148 3.0 26.7 1.0 C1A D:HEM148 3.0 19.8 1.0 C4C D:HEM148 3.1 21.2 1.0 C1B D:HEM148 3.1 28.8 1.0 C1C D:HEM148 3.1 21.8 1.0 C4B D:HEM148 3.1 26.7 1.0 CE1 D:HIS92 3.1 22.1 1.0 C4A D:HEM148 3.1 24.0 1.0 CHD D:HEM148 3.4 19.9 1.0 CHA D:HEM148 3.4 22.9 1.0 CHC D:HEM148 3.5 21.4 1.0 CHB D:HEM148 3.5 26.8 1.0 CG D:HIS92 4.2 23.2 1.0 ND1 D:HIS92 4.2 21.6 1.0 C2D D:HEM148 4.2 20.6 1.0 C3D D:HEM148 4.3 26.9 1.0 C2A D:HEM148 4.3 26.4 1.0 C2B D:HEM148 4.3 25.6 1.0 C3C D:HEM148 4.3 22.6 1.0 C2C D:HEM148 4.3 21.0 1.0 C3B D:HEM148 4.3 23.4 1.0 C3A D:HEM148 4.3 24.3 1.0 NE2 D:HIS63 4.4 29.3 1.0 CG2 D:VAL67 5.0 22.0 1.0

M.K.Safo, D.J.Abraham. The Enigma of the Liganded Hemoglobin End State: A Novel Quaternary Structure of Human Carbonmonoxy Hemoglobin. Biochemistry V. 44 8347 2005.
ISSN: ISSN 0006-2960
PubMed: 15938624
DOI: 10.1021/BI050412Q