Iron in PDB 3qjc: Human Hemoglobin A Mutant Beta H63L Carbonmonoxy-Form

The structure of Human Hemoglobin A Mutant Beta H63L Carbonmonoxy-Form, PDB code: 3qjc was solved by I.Birukou, J.Soman, J.S.Olson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.37 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.300, 53.300, 192.700, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 25

The binding sites of Iron atom in the Human Hemoglobin A Mutant Beta H63L Carbonmonoxy-Form (pdb code 3qjc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Human Hemoglobin A Mutant Beta H63L Carbonmonoxy-Form, PDB code: 3qjc:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Human Hemoglobin A Mutant Beta H63L Carbonmonoxy-Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Hemoglobin A Mutant Beta H63L Carbonmonoxy-Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:20.4 occ:1.00 FE A:HEM142 0.0 20.4 1.0 C A:CMO143 1.8 15.7 1.0 NC A:HEM142 2.0 17.7 1.0 NB A:HEM142 2.0 18.5 1.0 NA A:HEM142 2.1 19.0 1.0 ND A:HEM142 2.1 17.2 1.0 NE2 A:HIS87 2.2 15.6 1.0 O A:CMO143 3.0 28.5 1.0 C4B A:HEM142 3.0 18.5 1.0 C1C A:HEM142 3.0 18.7 1.0 C4C A:HEM142 3.0 16.5 1.0 C1B A:HEM142 3.1 19.4 1.0 C1A A:HEM142 3.1 22.6 1.0 C4A A:HEM142 3.1 15.7 1.0 C1D A:HEM142 3.1 14.3 1.0 C4D A:HEM142 3.1 19.5 1.0 CE1 A:HIS87 3.2 24.9 1.0 CD2 A:HIS87 3.2 24.2 1.0 CHC A:HEM142 3.4 18.3 1.0 CHD A:HEM142 3.5 19.4 1.0 CHA A:HEM142 3.5 16.8 1.0 CHB A:HEM142 3.5 15.7 1.0 C3B A:HEM142 4.3 17.9 1.0 C2C A:HEM142 4.3 26.2 1.0 C3C A:HEM142 4.3 19.1 1.0 ND1 A:HIS87 4.3 22.4 1.0 C2B A:HEM142 4.3 17.9 1.0 C2A A:HEM142 4.3 20.2 1.0 CG A:HIS87 4.3 25.9 1.0 C3A A:HEM142 4.3 22.2 1.0 C2D A:HEM142 4.3 14.4 1.0 C3D A:HEM142 4.4 19.7 1.0 NE2 A:HIS58 4.4 20.4 1.0 CD1 A:LEU91 5.0 21.9 1.0

Iron binding site 2 out of 2 in the Human Hemoglobin A Mutant Beta H63L Carbonmonoxy-Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Hemoglobin A Mutant Beta H63L Carbonmonoxy-Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:23.6 occ:1.00 FE B:HEM147 0.0 23.6 1.0 C B:CMO148 1.6 21.0 1.0 NA B:HEM147 2.0 23.3 1.0 NB B:HEM147 2.1 18.2 1.0 NE2 B:HIS92 2.1 22.1 1.0 NC B:HEM147 2.1 22.4 1.0 ND B:HEM147 2.1 22.4 1.0 O B:CMO148 2.8 21.7 1.0 C4A B:HEM147 3.0 21.7 1.0 C1A B:HEM147 3.1 21.9 1.0 CD2 B:HIS92 3.1 23.1 1.0 CE1 B:HIS92 3.1 25.2 1.0 C1B B:HEM147 3.1 18.0 1.0 C4B B:HEM147 3.1 21.0 1.0 C4D B:HEM147 3.1 22.7 1.0 C4C B:HEM147 3.1 24.7 1.0 C1C B:HEM147 3.1 19.4 1.0 C1D B:HEM147 3.1 24.7 1.0 CHA B:HEM147 3.4 20.6 1.0 CHB B:HEM147 3.4 20.2 1.0 CHC B:HEM147 3.5 18.4 1.0 CHD B:HEM147 3.5 20.4 1.0 ND1 B:HIS92 4.2 25.5 1.0 CG B:HIS92 4.2 23.2 1.0 C3A B:HEM147 4.2 19.0 1.0 C2A B:HEM147 4.3 20.0 1.0 C3C B:HEM147 4.3 18.9 1.0 C3B B:HEM147 4.3 19.9 1.0 C2B B:HEM147 4.3 25.2 1.0 C2C B:HEM147 4.3 17.8 1.0 C3D B:HEM147 4.3 25.3 1.0 C2D B:HEM147 4.4 28.0 1.0 CG2 B:VAL67 4.7 18.0 1.0

I.Birukou, J.Soman, J.S.Olson. Determination of Pathways For Oxygen Binding to Human Hba Thesis.