Iron in PDB 1qpw: Crystal Structure Determination of Porcine Hemoglobin at 1.8A Resolution

The structure of Crystal Structure Determination of Porcine Hemoglobin at 1.8A Resolution, PDB code: 1qpw was solved by T.-H.Lu, K.Panneerselvam, Y.-C.Liaw, P.Kan, C.-J.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.100, 72.270, 114.850, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 25.1

The binding sites of Iron atom in the Crystal Structure Determination of Porcine Hemoglobin at 1.8A Resolution (pdb code 1qpw). 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 Determination of Porcine Hemoglobin at 1.8A Resolution, PDB code: 1qpw:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure Determination of Porcine Hemoglobin at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Determination of Porcine Hemoglobin at 1.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe650 b:19.8 occ:1.00 FE A:HEM650 0.0 19.8 1.0 O A:HOH754 1.9 32.1 1.0 ND A:HEM650 1.9 28.4 1.0 NB A:HEM650 1.9 25.0 1.0 NA A:HEM650 2.0 32.4 1.0 NC A:HEM650 2.0 29.9 1.0 NE2 A:HIS87 2.8 26.1 1.0 C4B A:HEM650 3.0 28.0 1.0 C1B A:HEM650 3.0 30.5 1.0 C4D A:HEM650 3.0 30.0 1.0 C4A A:HEM650 3.0 32.0 1.0 C1A A:HEM650 3.0 30.5 1.0 C1D A:HEM650 3.0 28.2 1.0 C1C A:HEM650 3.1 26.5 1.0 C4C A:HEM650 3.1 27.4 1.0 CD2 A:HIS87 3.1 24.7 1.0 CHC A:HEM650 3.4 23.4 1.0 CHA A:HEM650 3.4 27.2 1.0 CHB A:HEM650 3.4 30.9 1.0 CHD A:HEM650 3.4 26.6 1.0 CE1 A:HIS87 3.9 29.3 1.0 NE2 A:HIS58 4.1 21.7 1.0 C2B A:HEM650 4.2 28.0 1.0 C3D A:HEM650 4.2 29.1 1.0 C2A A:HEM650 4.3 30.9 1.0 C3A A:HEM650 4.3 29.7 1.0 C3B A:HEM650 4.3 27.9 1.0 C2D A:HEM650 4.3 26.1 1.0 C2C A:HEM650 4.3 26.0 1.0 C3C A:HEM650 4.3 24.7 1.0 CG A:HIS87 4.4 28.2 1.0 CE1 A:HIS58 4.7 23.3 1.0 ND1 A:HIS87 4.7 31.3 1.0 CG2 A:VAL62 4.8 14.6 1.0

Iron binding site 2 out of 4 in the Crystal Structure Determination of Porcine Hemoglobin at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Determination of Porcine Hemoglobin at 1.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe750 b:35.1 occ:1.00 FE B:HEM750 0.0 35.1 1.0 O1 B:OXY751 1.8 40.1 1.0 NA B:HEM750 2.0 36.7 1.0 NB B:HEM750 2.0 36.1 1.0 ND B:HEM750 2.0 32.6 1.0 NC B:HEM750 2.0 33.1 1.0 O2 B:OXY751 2.8 41.3 1.0 NE2 B:HIS92 2.8 31.7 1.0 C4A B:HEM750 3.0 37.3 1.0 C1B B:HEM750 3.0 37.7 1.0 C4B B:HEM750 3.0 38.0 1.0 C1A B:HEM750 3.0 37.1 1.0 C1C B:HEM750 3.0 34.5 1.0 C4D B:HEM750 3.0 32.6 1.0 C4C B:HEM750 3.1 33.2 1.0 C1D B:HEM750 3.1 31.9 1.0 CE1 B:HIS92 3.2 30.8 1.0 CHB B:HEM750 3.4 38.5 1.0 CHC B:HEM750 3.4 35.4 1.0 CHA B:HEM750 3.4 34.6 1.0 CHD B:HEM750 3.4 31.3 1.0 CD2 B:HIS92 4.0 32.0 1.0 C3A B:HEM750 4.2 37.2 1.0 C2A B:HEM750 4.2 39.1 1.0 C2B B:HEM750 4.2 36.8 1.0 C3D B:HEM750 4.2 31.9 1.0 C3B B:HEM750 4.3 36.3 1.0 C2D B:HEM750 4.3 31.8 1.0 C2C B:HEM750 4.3 35.0 1.0 C3C B:HEM750 4.3 35.3 1.0 NE2 B:HIS63 4.5 38.6 1.0 ND1 B:HIS92 4.5 33.4 1.0 CE1 B:HIS63 4.7 37.2 1.0 CG B:HIS92 4.9 31.4 1.0 CD1 B:LEU96 4.9 16.9 1.0

Iron binding site 3 out of 4 in the Crystal Structure Determination of Porcine Hemoglobin at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure Determination of Porcine Hemoglobin at 1.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe850 b:25.5 occ:1.00 FE C:HEM850 0.0 25.5 1.0 O1 C:OXY851 1.9 36.4 1.0 NB C:HEM850 2.0 25.1 1.0 ND C:HEM850 2.0 26.8 1.0 NA C:HEM850 2.0 28.5 1.0 NC C:HEM850 2.0 24.6 1.0 O2 C:OXY851 2.4 37.6 1.0 NE2 C:HIS87 2.9 27.7 1.0 C4B C:HEM850 3.0 21.2 1.0 C4D C:HEM850 3.0 28.6 1.0 C1D C:HEM850 3.0 25.9 1.0 C1A C:HEM850 3.0 29.0 1.0 C1B C:HEM850 3.0 19.1 1.0 C4A C:HEM850 3.0 26.1 1.0 C1C C:HEM850 3.0 23.5 1.0 C4C C:HEM850 3.1 23.3 1.0 CHC C:HEM850 3.4 24.0 1.0 CHA C:HEM850 3.4 29.7 1.0 CHD C:HEM850 3.4 23.5 1.0 CHB C:HEM850 3.4 23.3 1.0 CE1 C:HIS87 3.5 24.4 1.0 CD2 C:HIS87 3.7 29.1 1.0 C2A C:HEM850 4.2 29.4 1.0 C3D C:HEM850 4.2 27.0 1.0 C3B C:HEM850 4.2 20.8 1.0 C2B C:HEM850 4.2 23.3 1.0 C2D C:HEM850 4.2 28.9 1.0 C3A C:HEM850 4.3 28.1 1.0 C2C C:HEM850 4.3 21.5 1.0 C3C C:HEM850 4.3 20.7 1.0 NE2 C:HIS58 4.5 33.5 1.0 ND1 C:HIS87 4.6 27.4 1.0 CE1 C:HIS58 4.7 32.7 1.0 CG2 C:VAL62 4.7 22.0 1.0 CG C:HIS87 4.8 30.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure Determination of Porcine Hemoglobin at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure Determination of Porcine Hemoglobin at 1.8A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe950 b:42.5 occ:1.00 FE D:HEM950 0.0 42.5 1.0 ND D:HEM950 1.9 46.5 1.0 NA D:HEM950 1.9 46.5 1.0 NC D:HEM950 2.0 42.2 1.0 NB D:HEM950 2.0 41.5 1.0 O D:HOH1142 2.0 29.2 1.0 NE2 D:HIS92 2.9 34.4 1.0 C4D D:HEM950 3.0 48.0 1.0 C1D D:HEM950 3.0 45.6 1.0 C1C D:HEM950 3.0 41.8 1.0 C4C D:HEM950 3.0 42.6 1.0 C4A D:HEM950 3.0 44.9 1.0 C1A D:HEM950 3.0 50.1 1.0 C4B D:HEM950 3.0 41.5 1.0 C1B D:HEM950 3.1 40.9 1.0 CHC D:HEM950 3.4 42.3 1.0 CHD D:HEM950 3.4 44.2 1.0 CHA D:HEM950 3.4 50.7 1.0 CHB D:HEM950 3.4 41.6 1.0 CE1 D:HIS92 3.6 34.2 1.0 CD2 D:HIS92 3.7 36.5 1.0 NE2 D:HIS63 4.0 30.4 1.0 C2C D:HEM950 4.3 43.4 1.0 C3C D:HEM950 4.3 45.7 1.0 C3A D:HEM950 4.3 48.1 1.0 C2D D:HEM950 4.3 44.0 1.0 C3D D:HEM950 4.3 47.0 1.0 C2A D:HEM950 4.3 50.7 1.0 C3B D:HEM950 4.3 40.2 1.0 C2B D:HEM950 4.3 41.1 1.0 CE1 D:HIS63 4.4 29.5 1.0 CG2 D:VAL67 4.5 21.4 1.0 ND1 D:HIS92 4.7 36.9 1.0 CG D:HIS92 4.8 36.3 1.0

T.H.Lu, K.Panneerselvam, Y.C.Liaw, P.Kan, C.J.Lee. Structure Determination of Porcine Haemoglobin. Acta Crystallogr.,Sect.D V. 56 304 2000.
ISSN: ISSN 0907-4449
PubMed: 10713517
DOI: 10.1107/S0907444900000093