Iron in PDB 1r1y: Crystal Structure of Deoxy-Human Hemoglobin Bassett at 1.8 Angstrom

The structure of Crystal Structure of Deoxy-Human Hemoglobin Bassett at 1.8 Angstrom, PDB code: 1r1y 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)	49.24 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.471, 82.246, 53.561, 90.00, 100.21, 90.00
R / Rfree (%)	18.3 / 23.6

The binding sites of Iron atom in the Crystal Structure of Deoxy-Human Hemoglobin Bassett at 1.8 Angstrom (pdb code 1r1y). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Deoxy-Human Hemoglobin Bassett at 1.8 Angstrom, PDB code: 1r1y:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Deoxy-Human Hemoglobin Bassett at 1.8 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 Deoxy-Human Hemoglobin Bassett at 1.8 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:29.4 occ:1.00 FE A:HEM143 0.0 29.4 1.0 ND A:HEM143 2.0 27.0 1.0 NA A:HEM143 2.1 29.1 1.0 NC A:HEM143 2.1 25.8 1.0 NE2 A:HIS87 2.1 30.2 1.0 NB A:HEM143 2.1 30.2 1.0 CE1 A:HIS87 3.0 26.3 1.0 C4D A:HEM143 3.0 29.1 1.0 C1A A:HEM143 3.0 34.3 1.0 C1C A:HEM143 3.1 27.8 1.0 C4B A:HEM143 3.1 25.9 1.0 C1D A:HEM143 3.1 27.9 1.0 C4C A:HEM143 3.1 24.7 1.0 CD2 A:HIS87 3.1 28.9 1.0 C1B A:HEM143 3.2 27.5 1.0 C4A A:HEM143 3.2 31.3 1.0 CHA A:HEM143 3.3 31.6 1.0 CHC A:HEM143 3.4 27.9 1.0 O A:HOH216 3.5 38.2 1.0 CHB A:HEM143 3.6 35.3 1.0 CHD A:HEM143 3.6 26.6 1.0 ND1 A:HIS87 4.1 27.9 1.0 CG A:HIS87 4.2 25.9 1.0 C3D A:HEM143 4.3 32.4 1.0 C2A A:HEM143 4.3 22.9 1.0 C2C A:HEM143 4.3 26.9 1.0 C3B A:HEM143 4.4 30.3 1.0 C3C A:HEM143 4.4 24.6 1.0 C2D A:HEM143 4.4 29.0 1.0 C2B A:HEM143 4.4 27.0 1.0 CD1 A:LEU91 4.4 29.9 1.0 C3A A:HEM143 4.4 24.6 1.0 CE1 A:HIS58 4.5 34.7 1.0 NE2 A:HIS58 4.6 31.6 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Deoxy-Human Hemoglobin Bassett at 1.8 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 Deoxy-Human Hemoglobin Bassett at 1.8 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:27.4 occ:1.00 FE B:HEM148 0.0 27.4 1.0 NB B:HEM148 2.0 22.5 1.0 NA B:HEM148 2.0 25.4 1.0 NC B:HEM148 2.1 23.7 1.0 ND B:HEM148 2.1 29.0 1.0 NE2 B:HIS92 2.1 26.4 1.0 CE1 B:HIS92 3.0 30.2 1.0 C1A B:HEM148 3.1 26.0 1.0 C4A B:HEM148 3.1 27.4 1.0 C1C B:HEM148 3.1 26.6 1.0 C4B B:HEM148 3.1 31.9 1.0 C1B B:HEM148 3.1 28.4 1.0 C4D B:HEM148 3.1 28.4 1.0 C1D B:HEM148 3.1 26.7 1.0 CD2 B:HIS92 3.1 23.3 1.0 C4C B:HEM148 3.2 24.8 1.0 CHC B:HEM148 3.4 29.8 1.0 CHA B:HEM148 3.4 27.4 1.0 CHB B:HEM148 3.5 20.9 1.0 CHD B:HEM148 3.6 23.1 1.0 CG2 B:VAL67 3.9 24.7 1.0 ND1 B:HIS92 4.2 27.9 1.0 CG B:HIS92 4.3 26.7 1.0 C2A B:HEM148 4.3 23.7 1.0 C3A B:HEM148 4.3 21.7 1.0 NE2 B:HIS63 4.3 32.2 1.0 C3B B:HEM148 4.3 31.1 1.0 C2B B:HEM148 4.4 27.8 1.0 C3D B:HEM148 4.4 27.5 1.0 C2C B:HEM148 4.4 28.0 1.0 C2D B:HEM148 4.4 25.7 1.0 C3C B:HEM148 4.4 26.0 1.0 CE1 B:HIS63 4.6 34.5 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Deoxy-Human Hemoglobin Bassett at 1.8 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Deoxy-Human Hemoglobin Bassett at 1.8 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe143 b:27.0 occ:1.00 FE C:HEM143 0.0 27.0 1.0 ND C:HEM143 2.0 21.1 1.0 NC C:HEM143 2.0 22.6 1.0 NE2 C:HIS87 2.1 26.9 1.0 NA C:HEM143 2.1 27.6 1.0 NB C:HEM143 2.1 23.9 1.0 CE1 C:HIS87 3.0 25.2 1.0 C1D C:HEM143 3.0 24.3 1.0 C1C C:HEM143 3.1 21.8 1.0 C4C C:HEM143 3.1 23.8 1.0 C4B C:HEM143 3.1 21.1 1.0 C4D C:HEM143 3.1 23.1 1.0 C4A C:HEM143 3.2 27.0 1.0 C1B C:HEM143 3.2 22.6 1.0 CD2 C:HIS87 3.2 21.3 1.0 C1A C:HEM143 3.2 30.8 1.0 O C:HOH198 3.4 30.3 1.0 CHC C:HEM143 3.4 21.4 1.0 CHD C:HEM143 3.5 22.7 1.0 CHB C:HEM143 3.5 24.4 1.0 CHA C:HEM143 3.6 22.4 1.0 ND1 C:HIS87 4.2 25.8 1.0 CE1 C:HIS58 4.3 28.4 1.0 C2D C:HEM143 4.3 28.1 1.0 CG C:HIS87 4.3 29.1 1.0 C3C C:HEM143 4.3 24.6 1.0 C2C C:HEM143 4.3 23.3 1.0 C3D C:HEM143 4.3 26.1 1.0 C3B C:HEM143 4.4 25.6 1.0 CD1 C:LEU91 4.4 24.5 1.0 C3A C:HEM143 4.4 25.9 1.0 C2B C:HEM143 4.4 23.8 1.0 C2A C:HEM143 4.5 29.2 1.0 NE2 C:HIS58 4.6 25.6 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Deoxy-Human Hemoglobin Bassett at 1.8 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Deoxy-Human Hemoglobin Bassett at 1.8 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe148 b:28.9 occ:1.00 FE D:HEM148 0.0 28.9 1.0 NA D:HEM148 2.0 29.2 1.0 NB D:HEM148 2.0 26.9 1.0 ND D:HEM148 2.1 27.9 1.0 NC D:HEM148 2.1 25.8 1.0 NE2 D:HIS92 2.1 25.2 1.0 CE1 D:HIS92 3.0 26.4 1.0 C1B D:HEM148 3.1 28.7 1.0 C4B D:HEM148 3.1 30.1 1.0 C4D D:HEM148 3.1 25.2 1.0 C1A D:HEM148 3.1 29.7 1.0 C4A D:HEM148 3.1 25.6 1.0 C1C D:HEM148 3.1 23.5 1.0 C1D D:HEM148 3.1 27.0 1.0 CD2 D:HIS92 3.1 26.0 1.0 C4C D:HEM148 3.1 21.6 1.0 CHA D:HEM148 3.5 26.9 1.0 CHC D:HEM148 3.5 24.1 1.0 CHB D:HEM148 3.5 23.6 1.0 CHD D:HEM148 3.5 20.9 1.0 ND1 D:HIS92 4.2 26.3 1.0 CG2 D:VAL67 4.2 26.1 1.0 CG D:HIS92 4.3 25.5 1.0 C2B D:HEM148 4.3 23.5 1.0 C3B D:HEM148 4.3 29.5 1.0 NE2 D:HIS63 4.3 33.4 1.0 C3D D:HEM148 4.3 30.7 1.0 C3A D:HEM148 4.3 28.0 1.0 C2A D:HEM148 4.4 25.4 1.0 C2D D:HEM148 4.4 25.7 1.0 C2C D:HEM148 4.4 23.6 1.0 C3C D:HEM148 4.4 24.5 1.0 CE1 D:HIS63 4.8 38.1 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