Iron in PDB 1cbm: The 1.8 Angstrom Structure of Carbonmonoxy-BETA4 Hemoglobin: Analysis of A Homotetramer with the R Quaternary Structure of Liganded ALPHA2BETA2 Hemoglobin

The structure of The 1.8 Angstrom Structure of Carbonmonoxy-BETA4 Hemoglobin: Analysis of A Homotetramer with the R Quaternary Structure of Liganded ALPHA2BETA2 Hemoglobin, PDB code: 1cbm was solved by G.E.O.Borgstahl, A.Arnone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.74
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.300, 82.400, 53.700, 90.00, 90.10, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the The 1.8 Angstrom Structure of Carbonmonoxy-BETA4 Hemoglobin: Analysis of A Homotetramer with the R Quaternary Structure of Liganded ALPHA2BETA2 Hemoglobin (pdb code 1cbm). 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 1.8 Angstrom Structure of Carbonmonoxy-BETA4 Hemoglobin: Analysis of A Homotetramer with the R Quaternary Structure of Liganded ALPHA2BETA2 Hemoglobin, PDB code: 1cbm:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the The 1.8 Angstrom Structure of Carbonmonoxy-BETA4 Hemoglobin: Analysis of A Homotetramer with the R Quaternary Structure of Liganded ALPHA2BETA2 Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The 1.8 Angstrom Structure of Carbonmonoxy-BETA4 Hemoglobin: Analysis of A Homotetramer with the R Quaternary Structure of Liganded ALPHA2BETA2 Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:17.4 occ:1.00 FE A:HEM147 0.0 17.4 1.0 C A:CMO148 1.8 12.4 1.0 ND A:HEM147 2.0 18.4 1.0 NC A:HEM147 2.0 12.8 1.0 NB A:HEM147 2.0 18.6 1.0 NA A:HEM147 2.0 18.3 1.0 NE2 A:HIS92 2.0 13.9 1.0 CE1 A:HIS92 3.0 19.1 1.0 O A:CMO148 3.0 16.4 1.0 C4C A:HEM147 3.0 15.9 1.0 C1C A:HEM147 3.0 13.2 1.0 C4D A:HEM147 3.0 20.5 1.0 C1A A:HEM147 3.0 19.4 1.0 C4A A:HEM147 3.1 16.3 1.0 C1D A:HEM147 3.1 17.1 1.0 C1B A:HEM147 3.1 21.5 1.0 C4B A:HEM147 3.1 16.2 1.0 CD2 A:HIS92 3.1 13.9 1.0 CHC A:HEM147 3.4 18.7 1.0 CHA A:HEM147 3.4 17.5 1.0 CHD A:HEM147 3.4 16.4 1.0 CHB A:HEM147 3.5 20.1 1.0 ND1 A:HIS92 4.1 22.4 1.0 CG A:HIS92 4.2 14.1 1.0 C3C A:HEM147 4.2 13.0 1.0 C2C A:HEM147 4.2 13.4 1.0 C2A A:HEM147 4.3 25.9 1.0 C3D A:HEM147 4.3 20.9 1.0 C3A A:HEM147 4.3 20.3 1.0 C2D A:HEM147 4.3 19.7 1.0 C2B A:HEM147 4.3 24.7 1.0 C3B A:HEM147 4.3 22.0 1.0 NE2 A:HIS63 4.4 26.9 1.0 CG2 A:VAL67 4.9 21.4 1.0

Iron binding site 2 out of 4 in the The 1.8 Angstrom Structure of Carbonmonoxy-BETA4 Hemoglobin: Analysis of A Homotetramer with the R Quaternary Structure of Liganded ALPHA2BETA2 Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The 1.8 Angstrom Structure of Carbonmonoxy-BETA4 Hemoglobin: Analysis of A Homotetramer with the R Quaternary Structure of Liganded ALPHA2BETA2 Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:20.9 occ:1.00 FE B:HEM147 0.0 20.9 1.0 C B:CMO148 1.8 17.1 1.0 NB B:HEM147 2.0 19.9 1.0 ND B:HEM147 2.0 21.8 1.0 NA B:HEM147 2.0 20.9 1.0 NC B:HEM147 2.0 17.5 1.0 NE2 B:HIS92 2.1 17.4 1.0 O B:CMO148 3.0 13.8 1.0 C4C B:HEM147 3.0 15.6 1.0 C4D B:HEM147 3.0 26.2 1.0 C1C B:HEM147 3.0 16.7 1.0 C1B B:HEM147 3.0 24.1 1.0 C1D B:HEM147 3.0 20.5 1.0 C4B B:HEM147 3.1 20.5 1.0 C1A B:HEM147 3.1 21.6 1.0 C4A B:HEM147 3.1 19.4 1.0 CE1 B:HIS92 3.1 21.5 1.0 CD2 B:HIS92 3.1 16.2 1.0 CHA B:HEM147 3.4 19.3 1.0 CHC B:HEM147 3.4 19.3 1.0 CHB B:HEM147 3.5 21.4 1.0 CHD B:HEM147 3.5 18.2 1.0 ND1 B:HIS92 4.2 17.3 1.0 C3D B:HEM147 4.3 30.1 1.0 C2C B:HEM147 4.3 20.4 1.0 C2A B:HEM147 4.3 24.1 1.0 C3C B:HEM147 4.3 18.8 1.0 C3B B:HEM147 4.3 21.7 1.0 C2D B:HEM147 4.3 23.3 1.0 C2B B:HEM147 4.3 18.4 1.0 CG B:HIS92 4.3 12.3 1.0 C3A B:HEM147 4.3 21.9 1.0 NE2 B:HIS63 4.4 37.4 1.0 CG2 B:VAL67 4.8 19.2 1.0

Iron binding site 3 out of 4 in the The 1.8 Angstrom Structure of Carbonmonoxy-BETA4 Hemoglobin: Analysis of A Homotetramer with the R Quaternary Structure of Liganded ALPHA2BETA2 Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The 1.8 Angstrom Structure of Carbonmonoxy-BETA4 Hemoglobin: Analysis of A Homotetramer with the R Quaternary Structure of Liganded ALPHA2BETA2 Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe147 b:13.5 occ:1.00 FE C:HEM147 0.0 13.5 1.0 C C:CMO148 1.8 12.2 1.0 ND C:HEM147 2.0 13.1 1.0 NA C:HEM147 2.0 10.6 1.0 NB C:HEM147 2.0 12.5 1.0 NC C:HEM147 2.0 11.1 1.0 NE2 C:HIS92 2.1 12.8 1.0 O C:CMO148 2.9 13.5 1.0 C4D C:HEM147 3.0 13.7 1.0 C4A C:HEM147 3.0 8.5 1.0 C1A C:HEM147 3.0 15.1 1.0 C1D C:HEM147 3.1 15.0 1.0 C1B C:HEM147 3.1 12.6 1.0 C1C C:HEM147 3.1 11.5 1.0 C4C C:HEM147 3.1 11.7 1.0 C4B C:HEM147 3.1 15.2 1.0 CE1 C:HIS92 3.1 14.2 1.0 CD2 C:HIS92 3.1 9.3 1.0 CHA C:HEM147 3.4 13.2 1.0 CHB C:HEM147 3.4 10.6 1.0 CHC C:HEM147 3.4 10.0 1.0 CHD C:HEM147 3.5 8.6 1.0 ND1 C:HIS92 4.2 12.9 1.0 C3D C:HEM147 4.2 13.2 1.0 C2A C:HEM147 4.2 15.4 1.0 C3A C:HEM147 4.3 14.2 1.0 C2D C:HEM147 4.3 14.0 1.0 C2B C:HEM147 4.3 10.8 1.0 CG C:HIS92 4.3 13.5 1.0 C2C C:HEM147 4.3 9.3 1.0 C3B C:HEM147 4.3 13.3 1.0 C3C C:HEM147 4.3 8.4 1.0 NE2 C:HIS63 4.4 18.6 1.0 CG2 C:VAL67 4.8 14.6 1.0

Iron binding site 4 out of 4 in the The 1.8 Angstrom Structure of Carbonmonoxy-BETA4 Hemoglobin: Analysis of A Homotetramer with the R Quaternary Structure of Liganded ALPHA2BETA2 Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The 1.8 Angstrom Structure of Carbonmonoxy-BETA4 Hemoglobin: Analysis of A Homotetramer with the R Quaternary Structure of Liganded ALPHA2BETA2 Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:20.8 occ:1.00 FE D:HEM147 0.0 20.8 1.0 C D:CMO148 1.8 17.1 1.0 ND D:HEM147 2.0 18.2 1.0 NB D:HEM147 2.0 19.4 1.0 NA D:HEM147 2.0 19.4 1.0 NC D:HEM147 2.0 17.1 1.0 NE2 D:HIS92 2.1 17.0 1.0 O D:CMO148 3.0 19.0 1.0 C4D D:HEM147 3.0 20.4 1.0 C1D D:HEM147 3.0 19.6 1.0 C1A D:HEM147 3.0 18.2 1.0 C4C D:HEM147 3.0 18.9 1.0 C4A D:HEM147 3.0 19.0 1.0 CE1 D:HIS92 3.1 17.4 1.0 C4B D:HEM147 3.1 12.5 1.0 C1C D:HEM147 3.1 16.0 1.0 C1B D:HEM147 3.1 18.1 1.0 CD2 D:HIS92 3.1 15.8 1.0 CHA D:HEM147 3.4 20.3 1.0 CHC D:HEM147 3.4 16.8 1.0 CHD D:HEM147 3.4 14.5 1.0 CHB D:HEM147 3.5 18.9 1.0 ND1 D:HIS92 4.2 24.4 1.0 C3D D:HEM147 4.2 21.7 1.0 CG D:HIS92 4.2 14.7 1.0 C2D D:HEM147 4.2 19.9 1.0 C2A D:HEM147 4.2 21.9 1.0 C3A D:HEM147 4.3 21.7 1.0 C3B D:HEM147 4.3 17.2 1.0 C3C D:HEM147 4.3 13.6 1.0 C2C D:HEM147 4.3 14.1 1.0 C2B D:HEM147 4.3 17.8 1.0 NE2 D:HIS63 4.3 27.8 1.0 CG2 D:VAL67 4.6 21.3 1.0

G.E.Borgstahl, P.H.Rogers, A.Arnone. The 1.8 A Structure of Carbonmonoxy-Beta 4 Hemoglobin. Analysis of A Homotetramer with the R Quaternary Structure of Liganded Alpha 2 Beta 2 Hemoglobin. J.Mol.Biol. V. 236 817 1994.
ISSN: ISSN 0022-2836
PubMed: 8114096
DOI: 10.1006/JMBI.1994.1191