Iron in PDB 1r1x: Crystal Structure of Oxy-Human Hemoglobin Bassett at 2.15 Angstrom

The structure of Crystal Structure of Oxy-Human Hemoglobin Bassett at 2.15 Angstrom, PDB code: 1r1x was solved by O.Abdulmalik, M.K.Safo, N.B.Lerner, J.Ochotorena, Y.Dhaikin, D.J.Abraham, T.Asakura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.41 / 2.15
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.357, 53.357, 191.781, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 28.8

The binding sites of Iron atom in the Crystal Structure of Oxy-Human Hemoglobin Bassett at 2.15 Angstrom (pdb code 1r1x). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Oxy-Human Hemoglobin Bassett at 2.15 Angstrom, PDB code: 1r1x:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Oxy-Human Hemoglobin Bassett at 2.15 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Oxy-Human Hemoglobin Bassett at 2.15 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:31.1 occ:1.00 FE A:HEM143 0.0 31.1 1.0 C A:CMO142 1.9 30.7 1.0 NA A:HEM143 2.0 36.5 1.0 NE2 A:HIS87 2.0 29.3 1.0 NB A:HEM143 2.0 35.1 1.0 ND A:HEM143 2.0 32.7 1.0 NC A:HEM143 2.0 28.8 1.0 CE1 A:HIS87 2.9 32.3 1.0 C4A A:HEM143 3.1 39.9 1.0 C1C A:HEM143 3.1 36.1 1.0 C1A A:HEM143 3.1 35.5 1.0 C4D A:HEM143 3.1 29.6 1.0 C1B A:HEM143 3.1 34.9 1.0 C4B A:HEM143 3.1 37.5 1.0 O A:CMO142 3.1 36.2 1.0 C1D A:HEM143 3.1 34.1 1.0 CD2 A:HIS87 3.1 28.0 1.0 C4C A:HEM143 3.1 31.7 1.0 CHA A:HEM143 3.4 27.5 1.0 CHC A:HEM143 3.5 33.9 1.0 CHB A:HEM143 3.5 33.4 1.0 CHD A:HEM143 3.5 29.5 1.0 ND1 A:HIS87 4.1 24.3 1.0 CG A:HIS87 4.2 31.6 1.0 C2A A:HEM143 4.3 31.3 1.0 C3A A:HEM143 4.3 40.8 1.0 C2C A:HEM143 4.3 29.2 1.0 C3D A:HEM143 4.3 31.0 1.0 C2D A:HEM143 4.3 32.0 1.0 C2B A:HEM143 4.3 35.3 1.0 C3B A:HEM143 4.4 37.1 1.0 C3C A:HEM143 4.4 33.8 1.0 NE2 A:HIS58 4.5 39.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Oxy-Human Hemoglobin Bassett at 2.15 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Oxy-Human Hemoglobin Bassett at 2.15 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:38.1 occ:1.00 FE B:HEM148 0.0 38.1 1.0 C B:CMO147 1.9 39.6 1.0 NB B:HEM148 2.0 39.1 1.0 ND B:HEM148 2.0 42.9 1.0 NA B:HEM148 2.0 40.9 1.0 NE2 B:HIS92 2.0 39.8 1.0 NC B:HEM148 2.0 42.3 1.0 CE1 B:HIS92 3.0 41.2 1.0 C4B B:HEM148 3.0 39.3 1.0 C1A B:HEM148 3.0 42.1 1.0 C4D B:HEM148 3.0 41.3 1.0 C1C B:HEM148 3.1 40.5 1.0 C1B B:HEM148 3.1 38.0 1.0 C1D B:HEM148 3.1 41.3 1.0 CD2 B:HIS92 3.1 33.8 1.0 O B:CMO147 3.1 36.4 1.0 C4A B:HEM148 3.1 39.6 1.0 C4C B:HEM148 3.1 36.8 1.0 CHA B:HEM148 3.4 40.3 1.0 CHC B:HEM148 3.4 39.5 1.0 CHD B:HEM148 3.5 38.0 1.0 CHB B:HEM148 3.5 32.6 1.0 ND1 B:HIS92 4.2 36.8 1.0 CG B:HIS92 4.2 37.1 1.0 C3D B:HEM148 4.3 42.7 1.0 C3B B:HEM148 4.3 42.9 1.0 C2A B:HEM148 4.3 44.3 1.0 C2D B:HEM148 4.3 40.1 1.0 C2B B:HEM148 4.3 38.8 1.0 C3A B:HEM148 4.3 37.0 1.0 C2C B:HEM148 4.3 40.5 1.0 C3C B:HEM148 4.4 38.1 1.0 NE2 B:HIS63 4.5 48.4 1.0 CG2 B:VAL67 4.8 29.2 1.0

O.Abdulmalik, M.K.Safo, N.B.Lerner, J.Ochotorena, Y.Daikhin, V.Lakka, R.Santacroce, D.J.Abraham, T.Asakura. Characterization of Hemoglobin Bassett (ALPHA94ASP-->Ala), A Variant with Very Low Oxygen Affinity Am.J.Hematol. V. 77 268 2004.
ISSN: ISSN 0361-8609
PubMed: 15495251
DOI: 10.1002/AJH.20184