Iron in PDB 3s66: Structures and Oxygen Affinities of Crystalline Human Hemoglobin C (BETA6 Lys) in the R Quaternary Structures

The structure of Structures and Oxygen Affinities of Crystalline Human Hemoglobin C (BETA6 Lys) in the R Quaternary Structures, PDB code: 3s66 was solved by N.Shibayama, K.Sugiyama, S.Y.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.77 / 1.40
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.097, 53.097, 191.526, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 23.3

The binding sites of Iron atom in the Structures and Oxygen Affinities of Crystalline Human Hemoglobin C (BETA6 Lys) in the R Quaternary Structures (pdb code 3s66). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structures and Oxygen Affinities of Crystalline Human Hemoglobin C (BETA6 Lys) in the R Quaternary Structures, PDB code: 3s66:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structures and Oxygen Affinities of Crystalline Human Hemoglobin C (BETA6 Lys) in the R Quaternary Structures


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structures and Oxygen Affinities of Crystalline Human Hemoglobin C (BETA6 Lys) in the R Quaternary Structures within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:11.7 occ:1.00 FE A:HEM142 0.0 11.7 1.0 C A:CMO143 1.7 10.7 1.0 NB A:HEM142 2.0 9.8 1.0 NA A:HEM142 2.0 12.5 1.0 NC A:HEM142 2.0 12.6 1.0 ND A:HEM142 2.1 10.6 1.0 NE2 A:HIS87 2.1 10.3 1.0 O A:CMO143 2.9 13.0 1.0 C4B A:HEM142 3.0 10.7 1.0 C1C A:HEM142 3.0 10.3 1.0 CE1 A:HIS87 3.0 12.0 1.0 C1A A:HEM142 3.0 10.9 1.0 C4D A:HEM142 3.1 11.8 1.0 C4A A:HEM142 3.1 11.8 1.0 C4C A:HEM142 3.1 11.1 1.0 C1B A:HEM142 3.1 10.6 1.0 C1D A:HEM142 3.1 11.0 1.0 CD2 A:HIS87 3.2 12.1 1.0 CHC A:HEM142 3.4 9.7 1.0 CHA A:HEM142 3.4 12.1 1.0 CHB A:HEM142 3.4 10.7 1.0 CHD A:HEM142 3.5 12.4 1.0 ND1 A:HIS87 4.2 11.9 1.0 C3C A:HEM142 4.3 9.7 1.0 C2C A:HEM142 4.3 12.2 1.0 C3B A:HEM142 4.3 10.6 1.0 CG A:HIS87 4.3 12.2 1.0 C3A A:HEM142 4.3 11.2 1.0 C2A A:HEM142 4.3 11.7 1.0 C2B A:HEM142 4.3 10.4 1.0 C2D A:HEM142 4.3 14.2 1.0 C3D A:HEM142 4.3 14.2 1.0 NE2 A:HIS58 4.4 15.9 1.0

Iron binding site 2 out of 2 in the Structures and Oxygen Affinities of Crystalline Human Hemoglobin C (BETA6 Lys) in the R Quaternary Structures


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structures and Oxygen Affinities of Crystalline Human Hemoglobin C (BETA6 Lys) in the R Quaternary Structures within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:16.8 occ:1.00 FE B:HEM147 0.0 16.8 1.0 C B:CMO148 1.7 16.7 1.0 NA B:HEM147 2.0 13.0 1.0 NC B:HEM147 2.1 15.1 1.0 NB B:HEM147 2.1 21.7 1.0 ND B:HEM147 2.1 20.0 1.0 NE2 B:HIS92 2.2 21.6 1.0 O B:CMO148 2.9 18.1 1.0 C4A B:HEM147 3.0 19.6 1.0 C1A B:HEM147 3.0 16.6 1.0 C4C B:HEM147 3.1 16.5 1.0 C1C B:HEM147 3.1 19.0 1.0 C1B B:HEM147 3.1 17.8 1.0 C4D B:HEM147 3.1 16.4 1.0 C4B B:HEM147 3.1 18.2 1.0 C1D B:HEM147 3.1 17.3 1.0 CE1 B:HIS92 3.1 20.9 1.0 CD2 B:HIS92 3.2 20.1 1.0 CHB B:HEM147 3.4 18.5 1.0 CHA B:HEM147 3.4 17.1 1.0 CHD B:HEM147 3.4 17.2 1.0 CHC B:HEM147 3.5 17.3 1.0 C3A B:HEM147 4.2 20.0 1.0 C2A B:HEM147 4.2 20.7 1.0 ND1 B:HIS92 4.3 20.7 1.0 C3C B:HEM147 4.3 18.4 1.0 C2C B:HEM147 4.3 15.9 1.0 CG B:HIS92 4.3 20.0 1.0 C2B B:HEM147 4.3 19.0 1.0 C3B B:HEM147 4.3 16.7 1.0 C3D B:HEM147 4.3 17.9 1.0 C2D B:HEM147 4.3 18.6 1.0 NE2 B:HIS63 4.5 26.5 1.0

N.Shibayama, S.Y.Park, K.Sugiyama. Structures and Oxygen Affinities of Crystalline Human Hemoglobin C (BETA6 Glu->Lys) in the R and R2 Quaternary Structure To Be Published.