Iron in PDB 1xye: T-to-Thigh Transitions in Human Hemoglobin: Alpha Y42A Deoxy Low Salt

The structure of T-to-Thigh Transitions in Human Hemoglobin: Alpha Y42A Deoxy Low Salt, PDB code: 1xye was solved by J.S.Kavanaugh, P.H.Rogers, A.Arnone, H.L.Hui, A.Wierzba, A.Deyoung, L.D.Kwiatkowski, R.W.Noble, L.J.Juszczak, E.S.Peterson, J.M.Friedman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.13
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	97.000, 99.300, 66.200, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 24.1

The binding sites of Iron atom in the T-to-Thigh Transitions in Human Hemoglobin: Alpha Y42A Deoxy Low Salt (pdb code 1xye). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the T-to-Thigh Transitions in Human Hemoglobin: Alpha Y42A Deoxy Low Salt, PDB code: 1xye:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the T-to-Thigh Transitions in Human Hemoglobin: Alpha Y42A Deoxy Low Salt


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of T-to-Thigh Transitions in Human Hemoglobin: Alpha Y42A Deoxy Low Salt within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:18.4 occ:1.00 FE A:HEM142 0.0 18.4 1.0 NC A:HEM142 1.9 17.2 1.0 NB A:HEM142 2.0 16.7 1.0 ND A:HEM142 2.1 16.4 1.0 NA A:HEM142 2.1 15.9 1.0 NE2 A:HIS87 2.2 15.9 1.0 CE1 A:HIS87 3.0 14.9 1.0 C4B A:HEM142 3.0 16.1 1.0 C1C A:HEM142 3.0 15.9 1.0 C4C A:HEM142 3.0 18.6 1.0 C4D A:HEM142 3.0 17.3 1.0 C1A A:HEM142 3.1 18.1 1.0 C1D A:HEM142 3.1 18.0 1.0 C1B A:HEM142 3.1 16.8 1.0 C4A A:HEM142 3.2 14.7 1.0 CD2 A:HIS87 3.3 15.6 1.0 CHC A:HEM142 3.4 15.6 1.0 CHA A:HEM142 3.4 18.8 1.0 CHD A:HEM142 3.4 16.2 1.0 O A:HOH219 3.5 20.2 1.0 CHB A:HEM142 3.6 13.1 1.0 ND1 A:HIS87 4.2 13.7 1.0 C3C A:HEM142 4.2 12.1 1.0 C3B A:HEM142 4.2 14.6 1.0 C2C A:HEM142 4.2 14.3 1.0 C3D A:HEM142 4.3 17.1 1.0 C2B A:HEM142 4.3 16.5 1.0 C2D A:HEM142 4.3 16.6 1.0 C2A A:HEM142 4.3 17.9 1.0 CG A:HIS87 4.4 14.5 1.0 C3A A:HEM142 4.4 17.1 1.0 CD1 A:LEU91 4.6 23.2 1.0 CE1 A:HIS58 4.7 22.2 1.0 NE2 A:HIS58 4.7 22.9 1.0

Iron binding site 2 out of 4 in the T-to-Thigh Transitions in Human Hemoglobin: Alpha Y42A Deoxy Low Salt


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of T-to-Thigh Transitions in Human Hemoglobin: Alpha Y42A Deoxy Low Salt within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:12.7 occ:1.00 FE B:HEM147 0.0 12.7 1.0 NB B:HEM147 2.0 6.8 1.0 NC B:HEM147 2.1 10.7 1.0 NA B:HEM147 2.1 7.7 1.0 ND B:HEM147 2.1 9.0 1.0 NE2 B:HIS92 2.3 7.1 1.0 C4B B:HEM147 3.0 10.0 1.0 C1B B:HEM147 3.0 7.6 1.0 C1C B:HEM147 3.1 7.9 1.0 C4A B:HEM147 3.1 6.5 1.0 C1D B:HEM147 3.1 11.5 1.0 C4C B:HEM147 3.1 10.3 1.0 C1A B:HEM147 3.1 9.3 1.0 CE1 B:HIS92 3.1 8.3 1.0 C4D B:HEM147 3.2 8.4 1.0 CD2 B:HIS92 3.3 6.1 1.0 CHB B:HEM147 3.4 10.4 1.0 CHC B:HEM147 3.4 11.8 1.0 CHD B:HEM147 3.4 12.1 1.0 CHA B:HEM147 3.5 12.1 1.0 C3B B:HEM147 4.2 8.5 1.0 C2B B:HEM147 4.2 7.8 1.0 C2C B:HEM147 4.3 10.2 1.0 C3C B:HEM147 4.3 10.4 1.0 C3A B:HEM147 4.3 7.1 1.0 CG2 B:VAL67 4.3 13.4 1.0 ND1 B:HIS92 4.3 9.9 1.0 C2A B:HEM147 4.3 6.4 1.0 C2D B:HEM147 4.3 8.3 1.0 C3D B:HEM147 4.4 12.4 1.0 CG B:HIS92 4.4 8.0 1.0 NE2 B:HIS63 4.5 14.5 1.0 CE1 B:HIS63 5.0 17.8 1.0

Iron binding site 3 out of 4 in the T-to-Thigh Transitions in Human Hemoglobin: Alpha Y42A Deoxy Low Salt


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of T-to-Thigh Transitions in Human Hemoglobin: Alpha Y42A Deoxy Low Salt within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:16.1 occ:1.00 FE C:HEM142 0.0 16.1 1.0 ND C:HEM142 2.0 13.7 1.0 NA C:HEM142 2.0 15.2 1.0 NC C:HEM142 2.1 13.5 1.0 NB C:HEM142 2.1 15.6 1.0 NE2 C:HIS87 2.2 14.3 1.0 C1A C:HEM142 2.9 16.1 1.0 C4D C:HEM142 3.0 13.2 1.0 CE1 C:HIS87 3.0 15.9 1.0 C1D C:HEM142 3.1 12.6 1.0 C4C C:HEM142 3.1 11.7 1.0 C4A C:HEM142 3.1 16.2 1.0 C4B C:HEM142 3.1 12.4 1.0 C1C C:HEM142 3.1 12.7 1.0 C1B C:HEM142 3.1 14.5 1.0 CHA C:HEM142 3.2 15.2 1.0 CD2 C:HIS87 3.3 17.4 1.0 CHD C:HEM142 3.5 11.5 1.0 CHC C:HEM142 3.5 14.4 1.0 CHB C:HEM142 3.5 19.1 1.0 O C:HOH256 3.7 19.1 1.0 ND1 C:HIS87 4.2 14.3 1.0 C2A C:HEM142 4.2 18.9 1.0 C3D C:HEM142 4.3 12.0 1.0 C3A C:HEM142 4.3 18.8 1.0 C2D C:HEM142 4.3 10.4 1.0 C2C C:HEM142 4.3 12.2 1.0 C3C C:HEM142 4.3 14.2 1.0 C2B C:HEM142 4.3 16.1 1.0 C3B C:HEM142 4.3 15.9 1.0 CG C:HIS87 4.4 17.2 1.0 NE2 C:HIS58 4.7 18.5 1.0 CD1 C:LEU91 4.7 21.4 1.0 CE1 C:HIS58 4.7 19.0 1.0

Iron binding site 4 out of 4 in the T-to-Thigh Transitions in Human Hemoglobin: Alpha Y42A Deoxy Low Salt


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of T-to-Thigh Transitions in Human Hemoglobin: Alpha Y42A Deoxy Low Salt within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:20.2 occ:1.00 FE D:HEM147 0.0 20.2 1.0 ND D:HEM147 2.0 17.7 1.0 NB D:HEM147 2.0 16.8 1.0 NA D:HEM147 2.0 18.9 1.0 NC D:HEM147 2.1 14.3 1.0 NE2 D:HIS92 2.4 16.8 1.0 C1B D:HEM147 2.9 20.4 1.0 C1D D:HEM147 3.0 18.7 1.0 C4A D:HEM147 3.0 20.9 1.0 C4B D:HEM147 3.0 16.6 1.0 C4D D:HEM147 3.1 19.8 1.0 C1C D:HEM147 3.1 13.5 1.0 C4C D:HEM147 3.1 14.8 1.0 C1A D:HEM147 3.1 20.1 1.0 CE1 D:HIS92 3.2 17.3 1.0 CHB D:HEM147 3.3 20.6 1.0 CHD D:HEM147 3.4 17.2 1.0 CHC D:HEM147 3.4 12.8 1.0 CD2 D:HIS92 3.5 17.9 1.0 CHA D:HEM147 3.5 18.3 1.0 CG2 D:VAL67 3.9 20.6 1.0 C2B D:HEM147 4.1 18.4 1.0 C3B D:HEM147 4.2 17.1 1.0 C2D D:HEM147 4.2 20.3 1.0 C3A D:HEM147 4.2 18.8 1.0 C3D D:HEM147 4.3 21.5 1.0 C2A D:HEM147 4.3 19.8 1.0 C3C D:HEM147 4.3 15.0 1.0 C2C D:HEM147 4.3 13.4 1.0 NE2 D:HIS63 4.4 26.1 1.0 ND1 D:HIS92 4.4 12.7 1.0 CE1 D:HIS63 4.5 25.4 1.0 CG D:HIS92 4.6 15.8 1.0

J.S.Kavanaugh, P.H.Rogers, A.Arnone, H.L.Hui, A.Wierzba, A.Deyoung, L.D.Kwiatkowski, R.W.Noble, L.J.Juszczak, E.S.Peterson, J.M.Friedman. Intersubunit Interactions Associated with TYR42ALPHA Stabilize the Quaternary-T Tetramer But Are Not Major Quaternary Constraints in Deoxyhemoglobin Biochemistry V. 44 3806 2005.
ISSN: ISSN 0006-2960
PubMed: 15751957
DOI: 10.1021/BI0484670