Iron in PDB 1aj9: R-State Human Carbonmonoxyhemoglobin Alpha-A53S

The structure of R-State Human Carbonmonoxyhemoglobin Alpha-A53S, PDB code: 1aj9 was solved by G.B.Vasquez, X.Ji, C.Fronticelli, G.L.Gilliland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.100, 54.100, 195.100, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / n/a

The binding sites of Iron atom in the R-State Human Carbonmonoxyhemoglobin Alpha-A53S (pdb code 1aj9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the R-State Human Carbonmonoxyhemoglobin Alpha-A53S, PDB code: 1aj9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the R-State Human Carbonmonoxyhemoglobin Alpha-A53S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of R-State Human Carbonmonoxyhemoglobin Alpha-A53S within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:18.8 occ:1.00 FE A:HEM143 0.0 18.8 1.0 C A:CMO148 1.9 18.0 1.0 NE2 A:HIS87 1.9 11.0 1.0 NB A:HEM143 2.0 18.9 1.0 ND A:HEM143 2.0 19.9 1.0 NC A:HEM143 2.0 18.8 1.0 NA A:HEM143 2.0 19.8 1.0 O A:CMO148 2.7 17.4 1.0 CD2 A:HIS87 2.9 14.4 1.0 CE1 A:HIS87 3.0 13.2 1.0 C4B A:HEM143 3.0 18.9 1.0 C1C A:HEM143 3.0 18.8 1.0 C1D A:HEM143 3.0 19.6 1.0 C1B A:HEM143 3.1 18.5 1.0 C4C A:HEM143 3.1 18.2 1.0 C4A A:HEM143 3.1 19.5 1.0 C4D A:HEM143 3.1 19.9 1.0 C1A A:HEM143 3.1 20.3 1.0 CHD A:HEM143 3.4 19.2 1.0 CHC A:HEM143 3.4 18.9 1.0 CHA A:HEM143 3.4 20.2 1.0 CHB A:HEM143 3.4 18.4 1.0 CG A:HIS87 4.1 14.7 1.0 ND1 A:HIS87 4.1 12.7 1.0 C3D A:HEM143 4.2 20.6 1.0 C2D A:HEM143 4.3 20.0 1.0 C2C A:HEM143 4.3 18.3 1.0 C3C A:HEM143 4.3 17.9 1.0 C3A A:HEM143 4.3 20.1 1.0 C2A A:HEM143 4.3 20.8 1.0 C3B A:HEM143 4.3 18.4 1.0 C2B A:HEM143 4.3 18.2 1.0 NE2 A:HIS58 4.5 14.4 1.0 CE1 A:HIS58 4.9 14.8 1.0

Iron binding site 2 out of 2 in the R-State Human Carbonmonoxyhemoglobin Alpha-A53S


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of R-State Human Carbonmonoxyhemoglobin Alpha-A53S within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:25.6 occ:1.00 FE B:HEM147 0.0 25.6 1.0 C B:CMO148 1.8 25.4 1.0 ND B:HEM147 2.0 25.9 1.0 NA B:HEM147 2.0 25.7 1.0 NC B:HEM147 2.0 24.5 1.0 NB B:HEM147 2.0 24.4 1.0 NE2 B:HIS92 2.2 17.2 1.0 O B:CMO148 3.0 26.6 1.0 C4D B:HEM147 3.0 26.6 1.0 C1C B:HEM147 3.0 24.0 1.0 C1A B:HEM147 3.0 26.2 1.0 C1D B:HEM147 3.0 25.9 1.0 C4B B:HEM147 3.1 23.6 1.0 C4C B:HEM147 3.1 24.8 1.0 C4A B:HEM147 3.1 25.6 1.0 C1B B:HEM147 3.1 24.2 1.0 CE1 B:HIS92 3.1 18.7 1.0 CD2 B:HIS92 3.2 17.6 1.0 CHA B:HEM147 3.3 26.6 1.0 CHC B:HEM147 3.4 23.7 1.0 CHD B:HEM147 3.5 25.0 1.0 CHB B:HEM147 3.5 24.8 1.0 NE2 B:HIS63 4.2 31.1 1.0 C3D B:HEM147 4.2 27.1 1.0 C2D B:HEM147 4.2 26.4 1.0 C2C B:HEM147 4.2 23.9 1.0 ND1 B:HIS92 4.2 18.9 1.0 C3C B:HEM147 4.3 24.0 1.0 C2A B:HEM147 4.3 26.5 1.0 C3A B:HEM147 4.3 25.9 1.0 C3B B:HEM147 4.3 23.3 1.0 CG B:HIS92 4.3 18.3 1.0 C2B B:HEM147 4.3 23.7 1.0

G.B.Vasquez, X.Ji, C.Fronticelli, G.L.Gilliland. Human Carboxyhemoglobin at 2.2 A Resolution: Structure and Solvent Comparisons of R-State, R2-State and T-State Hemoglobins. Acta Crystallogr.,Sect.D V. 54 355 1998.
ISSN: ISSN 0907-4449
PubMed: 9761903
DOI: 10.1107/S0907444997012250