Iron in PDB 2pgh: Structure Determination of Aquomet Porcine Hemoglobin at 2.8 Angstrom Resolution

The structure of Structure Determination of Aquomet Porcine Hemoglobin at 2.8 Angstrom Resolution, PDB code: 2pgh was solved by D.S.Katz, S.P.White, W.Huang, R.Kumar, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.50 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.600, 72.800, 115.800, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / n/a

The binding sites of Iron atom in the Structure Determination of Aquomet Porcine Hemoglobin at 2.8 Angstrom Resolution (pdb code 2pgh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure Determination of Aquomet Porcine Hemoglobin at 2.8 Angstrom Resolution, PDB code: 2pgh:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure Determination of Aquomet Porcine Hemoglobin at 2.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure Determination of Aquomet Porcine Hemoglobin at 2.8 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:10.9 occ:1.00 FE A:HEM142 0.0 10.9 1.0 NC A:HEM142 1.9 18.1 1.0 ND A:HEM142 2.0 14.2 1.0 NA A:HEM142 2.0 16.3 1.0 NB A:HEM142 2.0 16.3 1.0 NE2 A:HIS87 2.7 26.1 1.0 O A:HOH149 2.8 35.4 1.0 C4C A:HEM142 2.9 18.2 1.0 C1C A:HEM142 2.9 16.0 1.0 C4D A:HEM142 3.0 15.5 1.0 C1D A:HEM142 3.0 13.4 1.0 C1A A:HEM142 3.0 18.2 1.0 C4B A:HEM142 3.1 16.4 1.0 C4A A:HEM142 3.1 19.1 1.0 C1B A:HEM142 3.1 17.2 1.0 CHD A:HEM142 3.3 14.7 1.0 CHC A:HEM142 3.4 18.8 1.0 CHA A:HEM142 3.4 17.3 1.0 CHB A:HEM142 3.5 18.8 1.0 CE1 A:HIS87 3.5 24.3 1.0 CD2 A:HIS87 3.6 23.4 1.0 C2C A:HEM142 4.1 13.0 1.0 C3C A:HEM142 4.1 15.8 1.0 NE2 A:HIS58 4.2 12.3 1.0 C2D A:HEM142 4.3 11.6 1.0 C3D A:HEM142 4.3 11.5 1.0 C3A A:HEM142 4.3 21.5 1.0 C2A A:HEM142 4.3 20.9 1.0 C2B A:HEM142 4.3 15.1 1.0 C3B A:HEM142 4.3 15.9 1.0 CG A:HIS87 4.7 23.8 1.0 ND1 A:HIS87 4.7 25.3 1.0 CE1 A:HIS58 4.8 16.0 1.0

Iron binding site 2 out of 4 in the Structure Determination of Aquomet Porcine Hemoglobin at 2.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure Determination of Aquomet Porcine Hemoglobin at 2.8 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:14.4 occ:1.00 FE B:HEM147 0.0 14.4 1.0 ND B:HEM147 1.9 7.9 1.0 NC B:HEM147 2.0 15.3 1.0 NA B:HEM147 2.0 16.7 1.0 NB B:HEM147 2.0 17.9 1.0 C1D B:HEM147 3.0 8.4 1.0 NE2 B:HIS92 3.0 15.0 1.0 C4D B:HEM147 3.0 10.8 1.0 C4C B:HEM147 3.0 11.3 1.0 C4A B:HEM147 3.1 17.4 1.0 C1C B:HEM147 3.1 12.5 1.0 C1A B:HEM147 3.1 17.3 1.0 C1B B:HEM147 3.1 17.8 1.0 C4B B:HEM147 3.1 17.2 1.0 CHD B:HEM147 3.4 10.0 1.0 CHA B:HEM147 3.4 14.3 1.0 CHB B:HEM147 3.5 17.0 1.0 CHC B:HEM147 3.5 14.8 1.0 CE1 B:HIS92 3.7 17.9 1.0 CD2 B:HIS92 4.2 15.5 1.0 C2D B:HEM147 4.3 7.5 1.0 C3D B:HEM147 4.3 9.2 1.0 C3C B:HEM147 4.3 7.7 1.0 C2C B:HEM147 4.3 7.8 1.0 C3A B:HEM147 4.3 17.4 1.0 C2A B:HEM147 4.4 19.9 1.0 C2B B:HEM147 4.4 19.6 1.0 C3B B:HEM147 4.4 19.0 1.0 NE2 B:HIS63 4.4 25.0 1.0 CE1 B:HIS63 4.8 24.4 1.0 ND1 B:HIS92 5.0 15.8 1.0

Iron binding site 3 out of 4 in the Structure Determination of Aquomet Porcine Hemoglobin at 2.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure Determination of Aquomet Porcine Hemoglobin at 2.8 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:12.5 occ:1.00 FE C:HEM142 0.0 12.5 1.0 NA C:HEM142 2.0 12.2 1.0 NC C:HEM142 2.0 13.9 1.0 NB C:HEM142 2.0 13.2 1.0 ND C:HEM142 2.0 13.1 1.0 NE2 C:HIS87 2.8 26.9 1.0 O C:HOH148 2.8 2.0 1.0 C1C C:HEM142 3.0 12.6 1.0 C4A C:HEM142 3.0 11.8 1.0 C4B C:HEM142 3.0 9.6 1.0 C1A C:HEM142 3.0 12.9 1.0 C4C C:HEM142 3.1 15.4 1.0 C1B C:HEM142 3.1 12.7 1.0 C4D C:HEM142 3.1 11.2 1.0 C1D C:HEM142 3.1 13.9 1.0 CE1 C:HIS87 3.2 26.8 1.0 CHC C:HEM142 3.3 10.1 1.0 CHB C:HEM142 3.4 12.1 1.0 CHA C:HEM142 3.4 10.9 1.0 CHD C:HEM142 3.5 16.4 1.0 CD2 C:HIS87 4.1 25.8 1.0 NE2 C:HIS58 4.1 4.8 1.0 C3A C:HEM142 4.2 15.5 1.0 C2A C:HEM142 4.2 15.3 1.0 C2C C:HEM142 4.2 12.5 1.0 C3B C:HEM142 4.2 8.5 1.0 C3C C:HEM142 4.3 13.1 1.0 C3D C:HEM142 4.3 9.1 1.0 C2B C:HEM142 4.3 9.0 1.0 C2D C:HEM142 4.3 11.8 1.0 ND1 C:HIS87 4.5 25.0 1.0 CE1 C:HIS58 4.7 2.0 1.0 CG C:HIS87 4.9 23.5 1.0

Iron binding site 4 out of 4 in the Structure Determination of Aquomet Porcine Hemoglobin at 2.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure Determination of Aquomet Porcine Hemoglobin at 2.8 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:27.3 occ:1.00 FE D:HEM147 0.0 27.3 1.0 NB D:HEM147 1.9 27.0 1.0 NC D:HEM147 2.0 24.3 1.0 ND D:HEM147 2.0 28.8 1.0 NA D:HEM147 2.0 31.4 1.0 NE2 D:HIS92 2.9 30.4 1.0 C1B D:HEM147 3.0 27.0 1.0 C4B D:HEM147 3.0 27.0 1.0 O D:HOH155 3.0 2.0 1.0 C1C D:HEM147 3.0 23.7 1.0 C4C D:HEM147 3.0 23.3 1.0 C1D D:HEM147 3.1 25.3 1.0 C4D D:HEM147 3.1 28.9 1.0 C1A D:HEM147 3.1 31.5 1.0 C4A D:HEM147 3.1 31.8 1.0 CHC D:HEM147 3.4 24.0 1.0 CHB D:HEM147 3.4 28.9 1.0 CHD D:HEM147 3.4 25.5 1.0 CHA D:HEM147 3.5 29.9 1.0 CD2 D:HIS92 3.6 31.8 1.0 NE2 D:HIS63 3.8 12.0 1.0 CE1 D:HIS92 3.9 31.0 1.0 C3B D:HEM147 4.2 27.1 1.0 C2B D:HEM147 4.2 27.3 1.0 C2C D:HEM147 4.2 22.7 1.0 C3C D:HEM147 4.3 21.6 1.0 C2D D:HEM147 4.3 24.6 1.0 C2A D:HEM147 4.4 33.2 1.0 C3D D:HEM147 4.4 26.4 1.0 C3A D:HEM147 4.4 32.5 1.0 CE1 D:HIS63 4.6 8.3 1.0 CG2 D:VAL67 4.6 12.3 1.0 CD1 D:LEU96 4.7 38.4 1.0 CD2 D:HIS63 4.8 10.4 1.0 CG D:HIS92 4.9 31.4 1.0

D.S.Katz, S.P.White, W.Huang, R.Kumar, D.W.Christianson. Structure Determination of Aquomet Porcine Hemoglobin at 2.8 A Resolution. J.Mol.Biol. V. 244 541 1994.
ISSN: ISSN 0022-2836
PubMed: 7990139
DOI: 10.1006/JMBI.1994.1751