Iron in PDB 6fqf: The X-Ray Structure of Ferric-BETA4 Human Hemoglobin

The structure of The X-Ray Structure of Ferric-BETA4 Human Hemoglobin, PDB code: 6fqf was solved by L.Mazzarella, A.Merlino, N.Balasco, A.Balsamo, A.Vergara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.48 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.700, 82.100, 62.500, 90.00, 91.30, 90.00
R / Rfree (%)	20.4 / 26.5

The binding sites of Iron atom in the The X-Ray Structure of Ferric-BETA4 Human Hemoglobin (pdb code 6fqf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The X-Ray Structure of Ferric-BETA4 Human Hemoglobin, PDB code: 6fqf:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the The X-Ray Structure of Ferric-BETA4 Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The X-Ray Structure of Ferric-BETA4 Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:25.1 occ:1.00 FE A:HEM201 0.0 25.1 1.0 ND A:HEM201 1.9 25.0 1.0 NA A:HEM201 2.0 24.7 1.0 NB A:HEM201 2.1 25.0 1.0 NC A:HEM201 2.1 23.5 1.0 NE2 A:HIS92 2.1 20.7 1.0 O A:HOH306 2.2 19.3 1.0 C4D A:HEM201 2.9 25.3 1.0 C1D A:HEM201 3.0 25.2 1.0 C1A A:HEM201 3.0 24.9 1.0 C4A A:HEM201 3.1 26.0 1.0 C1B A:HEM201 3.1 25.6 1.0 C4B A:HEM201 3.1 24.3 1.0 CD2 A:HIS92 3.1 19.0 1.0 C4C A:HEM201 3.1 22.4 1.0 CE1 A:HIS92 3.1 20.5 1.0 C1C A:HEM201 3.1 24.6 1.0 CHA A:HEM201 3.4 25.1 1.0 CHD A:HEM201 3.4 22.8 1.0 CHB A:HEM201 3.5 24.0 1.0 CHC A:HEM201 3.5 25.4 1.0 NE2 A:HIS63 3.8 23.8 1.0 C3D A:HEM201 4.2 26.4 1.0 C2A A:HEM201 4.2 27.4 1.0 C3A A:HEM201 4.2 26.4 1.0 ND1 A:HIS92 4.2 18.6 1.0 C2D A:HEM201 4.2 26.8 1.0 CG A:HIS92 4.2 19.1 1.0 C2B A:HEM201 4.3 25.7 1.0 C3B A:HEM201 4.3 25.7 1.0 CE1 A:HIS63 4.3 23.9 1.0 C3C A:HEM201 4.3 22.9 1.0 C2C A:HEM201 4.3 24.7 1.0 CG2 A:VAL67 4.8 32.3 1.0

Iron binding site 2 out of 4 in the The X-Ray Structure of Ferric-BETA4 Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The X-Ray Structure of Ferric-BETA4 Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:20.4 occ:1.00 FE B:HEM201 0.0 20.4 1.0 ND B:HEM201 1.9 21.1 1.0 O B:HOH306 1.9 6.3 1.0 NA B:HEM201 2.0 19.0 1.0 NC B:HEM201 2.1 18.4 1.0 NE2 B:HIS92 2.1 18.2 1.0 NB B:HEM201 2.1 18.5 1.0 C1D B:HEM201 2.9 18.6 1.0 C4D B:HEM201 2.9 23.5 1.0 C1A B:HEM201 3.0 20.5 1.0 C4A B:HEM201 3.0 19.3 1.0 C4C B:HEM201 3.0 17.1 1.0 CD2 B:HIS92 3.0 17.8 1.0 C4B B:HEM201 3.1 17.9 1.0 C1C B:HEM201 3.1 16.9 1.0 C1B B:HEM201 3.1 17.8 1.0 CE1 B:HIS92 3.1 17.8 1.0 CHD B:HEM201 3.4 17.9 1.0 CHA B:HEM201 3.4 21.2 1.0 CHC B:HEM201 3.4 16.9 1.0 CHB B:HEM201 3.5 19.0 1.0 NE2 B:HIS63 4.1 21.9 1.0 C2D B:HEM201 4.1 20.1 1.0 C3D B:HEM201 4.2 22.2 1.0 CG B:HIS92 4.2 17.3 1.0 ND1 B:HIS92 4.2 16.9 1.0 C2A B:HEM201 4.2 21.8 1.0 C3A B:HEM201 4.2 19.6 1.0 C3C B:HEM201 4.3 15.8 1.0 C2C B:HEM201 4.3 15.7 1.0 C2B B:HEM201 4.3 17.2 1.0 C3B B:HEM201 4.4 17.0 1.0 CE1 B:HIS63 4.7 25.2 1.0 CG2 B:VAL67 5.0 25.6 1.0

Iron binding site 3 out of 4 in the The X-Ray Structure of Ferric-BETA4 Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The X-Ray Structure of Ferric-BETA4 Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:19.6 occ:1.00 FE C:HEM201 0.0 19.6 1.0 ND C:HEM201 1.9 20.8 1.0 O C:HOH313 1.9 16.6 1.0 NA C:HEM201 2.0 19.5 1.0 NE2 C:HIS92 2.1 18.7 1.0 NC C:HEM201 2.1 18.4 1.0 NB C:HEM201 2.1 17.7 1.0 C4D C:HEM201 2.9 22.4 1.0 C1D C:HEM201 2.9 22.1 1.0 C1A C:HEM201 3.0 21.6 1.0 CD2 C:HIS92 3.0 18.8 1.0 C4C C:HEM201 3.1 18.8 1.0 C4B C:HEM201 3.1 17.5 1.0 C4A C:HEM201 3.1 18.1 1.0 C1B C:HEM201 3.1 17.3 1.0 CE1 C:HIS92 3.1 18.8 1.0 C1C C:HEM201 3.1 18.3 1.0 CHA C:HEM201 3.4 20.6 1.0 CHD C:HEM201 3.4 19.4 1.0 CHC C:HEM201 3.4 16.9 1.0 CHB C:HEM201 3.5 16.7 1.0 NE2 C:HIS63 4.0 19.2 1.0 C3D C:HEM201 4.2 23.2 1.0 C2A C:HEM201 4.2 22.3 1.0 C2D C:HEM201 4.2 22.8 1.0 CG C:HIS92 4.2 18.5 1.0 ND1 C:HIS92 4.2 17.1 1.0 C3A C:HEM201 4.2 21.4 1.0 C2C C:HEM201 4.3 18.3 1.0 C3C C:HEM201 4.3 18.1 1.0 C2B C:HEM201 4.4 18.0 1.0 C3B C:HEM201 4.4 17.9 1.0 CE1 C:HIS63 4.5 20.2 1.0 CG2 C:VAL67 4.8 18.8 1.0

Iron binding site 4 out of 4 in the The X-Ray Structure of Ferric-BETA4 Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The X-Ray Structure of Ferric-BETA4 Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:25.6 occ:1.00 FE D:HEM201 0.0 25.6 1.0 ND D:HEM201 1.9 24.1 1.0 NA D:HEM201 2.0 24.9 1.0 NC D:HEM201 2.1 22.8 1.0 O D:HOH305 2.1 16.2 1.0 NB D:HEM201 2.1 21.4 1.0 NE2 D:HIS92 2.2 19.7 1.0 C4D D:HEM201 2.9 25.8 1.0 C1D D:HEM201 2.9 26.2 1.0 C1A D:HEM201 3.0 24.3 1.0 CD2 D:HIS92 3.0 22.3 1.0 C4A D:HEM201 3.0 25.6 1.0 C4C D:HEM201 3.1 23.3 1.0 C1B D:HEM201 3.1 25.5 1.0 C4B D:HEM201 3.1 22.6 1.0 C1C D:HEM201 3.1 22.9 1.0 CE1 D:HIS92 3.3 19.1 1.0 CHA D:HEM201 3.3 23.6 1.0 CHD D:HEM201 3.4 23.6 1.0 CHB D:HEM201 3.4 24.7 1.0 CHC D:HEM201 3.5 22.0 1.0 NE2 D:HIS63 3.9 36.2 1.0 C3D D:HEM201 4.1 25.4 1.0 C2D D:HEM201 4.1 25.6 1.0 C3A D:HEM201 4.2 26.4 1.0 C2A D:HEM201 4.2 27.8 1.0 CG D:HIS92 4.2 20.4 1.0 C3C D:HEM201 4.3 21.6 1.0 ND1 D:HIS92 4.3 20.4 1.0 C2B D:HEM201 4.3 25.1 1.0 CE1 D:HIS63 4.3 35.4 1.0 C2C D:HEM201 4.4 22.8 1.0 C3B D:HEM201 4.4 23.4 1.0 CG2 D:VAL67 4.5 29.7 1.0

L.Mazzarella, A.Merlino, N.Balasco, A.Balsamo, A.Vergara. Crystal Structure of the Ferric Homotetrameric BETA4HUMAN Hemoglobin. Biophys. Chem. V. 240 9 2018.
ISSN: ISSN 1873-4200
PubMed: 29857171
DOI: 10.1016/J.BPC.2018.05.003