Iron in PDB 1ygd: T-to-T(High) Quaternary Transitions in Human Hemoglobin: BETAW37E Alpha Zinc Beta Oxy (10 Test Sets)

The structure of T-to-T(High) Quaternary Transitions in Human Hemoglobin: BETAW37E Alpha Zinc Beta Oxy (10 Test Sets), PDB code: 1ygd was solved by J.S.Kavanaugh, P.H.Rogers, A.Arnone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.73
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	96.300, 99.100, 66.800, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 26.6

The structure of T-to-T(High) Quaternary Transitions in Human Hemoglobin: BETAW37E Alpha Zinc Beta Oxy (10 Test Sets) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the T-to-T(High) Quaternary Transitions in Human Hemoglobin: BETAW37E Alpha Zinc Beta Oxy (10 Test Sets) (pdb code 1ygd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the T-to-T(High) Quaternary Transitions in Human Hemoglobin: BETAW37E Alpha Zinc Beta Oxy (10 Test Sets), PDB code: 1ygd:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the T-to-T(High) Quaternary Transitions in Human Hemoglobin: BETAW37E Alpha Zinc Beta Oxy (10 Test Sets)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of T-to-T(High) Quaternary Transitions in Human Hemoglobin: BETAW37E Alpha Zinc Beta Oxy (10 Test Sets) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:8.4 occ:1.00 FE B:HEM147 0.0 8.4 1.0 O1 B:OXY150 1.8 9.8 1.0 NA B:HEM147 1.9 5.8 1.0 NE2 B:HIS92 1.9 6.8 1.0 NB B:HEM147 2.0 6.1 1.0 NC B:HEM147 2.0 5.8 1.0 ND B:HEM147 2.2 7.2 1.0 O2 B:OXY150 2.6 14.9 1.0 C4A B:HEM147 2.8 5.3 1.0 CE1 B:HIS92 2.8 7.4 1.0 C1B B:HEM147 2.9 5.4 1.0 CD2 B:HIS92 3.0 7.7 1.0 C4C B:HEM147 3.0 4.9 1.0 C1A B:HEM147 3.0 5.0 1.0 C4B B:HEM147 3.1 6.3 1.0 C1C B:HEM147 3.1 4.8 1.0 C1D B:HEM147 3.2 6.7 1.0 CHB B:HEM147 3.2 6.1 1.0 C4D B:HEM147 3.3 7.8 1.0 CHD B:HEM147 3.4 2.2 1.0 CHC B:HEM147 3.5 6.5 1.0 CHA B:HEM147 3.6 6.1 1.0 ND1 B:HIS92 4.0 8.4 1.0 C3A B:HEM147 4.1 2.1 1.0 CG B:HIS92 4.1 8.9 1.0 C2B B:HEM147 4.2 6.4 1.0 C2A B:HEM147 4.2 3.8 1.0 C3C B:HEM147 4.2 5.1 1.0 C3B B:HEM147 4.2 6.6 1.0 C2C B:HEM147 4.3 2.0 1.0 C2D B:HEM147 4.5 7.1 1.0 C3D B:HEM147 4.5 8.4 1.0 CG2 B:VAL67 4.6 12.9 1.0 NE2 B:HIS63 4.6 12.9 1.0

Iron binding site 2 out of 2 in the T-to-T(High) Quaternary Transitions in Human Hemoglobin: BETAW37E Alpha Zinc Beta Oxy (10 Test Sets)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of T-to-T(High) Quaternary Transitions in Human Hemoglobin: BETAW37E Alpha Zinc Beta Oxy (10 Test Sets) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:19.1 occ:1.00 FE D:HEM147 0.0 19.1 1.0 O1 D:OXY150 1.8 23.0 1.0 NE2 D:HIS92 1.8 20.3 1.0 NC D:HEM147 1.9 20.2 1.0 NB D:HEM147 2.0 21.0 1.0 NA D:HEM147 2.1 21.2 1.0 ND D:HEM147 2.1 20.9 1.0 O2 D:OXY150 2.6 27.2 1.0 CE1 D:HIS92 2.7 19.2 1.0 C4C D:HEM147 2.9 19.4 1.0 C1B D:HEM147 3.0 21.3 1.0 C1C D:HEM147 3.0 19.5 1.0 CD2 D:HIS92 3.0 19.4 1.0 C4B D:HEM147 3.0 20.9 1.0 C1D D:HEM147 3.1 21.0 1.0 C4A D:HEM147 3.1 21.5 1.0 C1A D:HEM147 3.2 21.7 1.0 C4D D:HEM147 3.2 21.2 1.0 CHD D:HEM147 3.3 20.0 1.0 CHB D:HEM147 3.3 21.1 1.0 CHC D:HEM147 3.4 20.3 1.0 CHA D:HEM147 3.6 21.5 1.0 ND1 D:HIS92 3.9 19.0 1.0 CG D:HIS92 4.0 19.6 1.0 C3C D:HEM147 4.2 19.0 1.0 C2C D:HEM147 4.2 19.4 1.0 C2B D:HEM147 4.2 21.4 1.0 C3B D:HEM147 4.2 21.7 1.0 C2D D:HEM147 4.3 20.5 1.0 C3A D:HEM147 4.3 21.7 1.0 C2A D:HEM147 4.4 22.3 1.0 C3D D:HEM147 4.4 21.1 1.0 NE2 D:HIS63 4.6 28.1 1.0 CG2 D:VAL67 4.8 26.9 1.0

J.S.Kavanaugh, P.H.Rogers, A.Arnone. Crystallographic Evidence For A New Ensemble of Ligand-Induced Allosteric Transitions in Hemoglobin: the T-to-T(High) Quaternary Transitions. Biochemistry V. 44 6101 2005.
ISSN: ISSN 0006-2960
PubMed: 15835899
DOI: 10.1021/BI047813A