Iron in PDB 5wog: Human Hemoglobin Immersed in Liquid Oxygen For 1 Minute

The structure of Human Hemoglobin Immersed in Liquid Oxygen For 1 Minute, PDB code: 5wog was solved by R.H.Gumpper, J.R.Terrell, M.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.45 / 1.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.360, 82.890, 83.600, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 20.7

The binding sites of Iron atom in the Human Hemoglobin Immersed in Liquid Oxygen For 1 Minute (pdb code 5wog). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Human Hemoglobin Immersed in Liquid Oxygen For 1 Minute, PDB code: 5wog:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Human Hemoglobin Immersed in Liquid Oxygen For 1 Minute


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Hemoglobin Immersed in Liquid Oxygen For 1 Minute within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:9.6 occ:1.00 FE A:HEM201 0.0 9.6 1.0 NB A:HEM201 2.0 12.0 1.0 ND A:HEM201 2.0 11.2 1.0 NC A:HEM201 2.0 9.8 1.0 NA A:HEM201 2.0 10.7 1.0 NE2 A:HIS87 2.1 10.3 1.0 O A:HOH306 2.2 18.4 1.0 C4B A:HEM201 3.0 10.7 1.0 C4C A:HEM201 3.0 9.7 1.0 C1B A:HEM201 3.0 9.9 1.0 C1D A:HEM201 3.1 10.8 1.0 CE1 A:HIS87 3.1 11.5 1.0 C4A A:HEM201 3.1 9.4 1.0 C1C A:HEM201 3.1 11.7 1.0 C4D A:HEM201 3.1 12.0 1.0 C1A A:HEM201 3.1 11.6 1.0 CD2 A:HIS87 3.2 11.0 1.0 CHB A:HEM201 3.4 11.1 1.0 CHD A:HEM201 3.4 9.8 1.0 CHC A:HEM201 3.4 11.9 1.0 CHA A:HEM201 3.5 9.2 1.0 ND1 A:HIS87 4.2 10.9 1.0 NE2 A:HIS58 4.2 15.3 1.0 C3B A:HEM201 4.2 9.6 1.0 C2D A:HEM201 4.3 12.9 1.0 C2B A:HEM201 4.3 9.4 1.0 C3C A:HEM201 4.3 10.6 1.0 C3D A:HEM201 4.3 11.0 1.0 C2C A:HEM201 4.3 9.3 1.0 CG A:HIS87 4.3 10.1 1.0 C3A A:HEM201 4.3 14.0 1.0 C2A A:HEM201 4.3 13.6 1.0 CE1 A:HIS58 4.4 15.7 1.0 CG2 A:VAL62 4.7 11.9 1.0

Iron binding site 2 out of 4 in the Human Hemoglobin Immersed in Liquid Oxygen For 1 Minute


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Hemoglobin Immersed in Liquid Oxygen For 1 Minute within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:12.4 occ:1.00 FE B:HEM201 0.0 12.4 1.0 NC B:HEM201 2.0 9.3 1.0 NB B:HEM201 2.0 12.8 1.0 ND B:HEM201 2.0 13.8 1.0 NA B:HEM201 2.1 11.9 1.0 NE2 B:HIS87 2.2 11.8 1.0 O B:HOH368 2.2 30.0 1.0 C1C B:HEM201 3.0 11.9 1.0 C4C B:HEM201 3.0 10.6 1.0 C4B B:HEM201 3.0 13.5 1.0 C1D B:HEM201 3.0 11.8 1.0 C1B B:HEM201 3.0 11.6 1.0 C4A B:HEM201 3.1 15.5 1.0 C4D B:HEM201 3.1 17.2 1.0 C1A B:HEM201 3.1 13.7 1.0 CE1 B:HIS87 3.2 12.8 1.0 CD2 B:HIS87 3.2 11.6 1.0 CHC B:HEM201 3.4 13.4 1.0 CHD B:HEM201 3.4 12.3 1.0 CHB B:HEM201 3.4 13.8 1.0 CHA B:HEM201 3.5 14.6 1.0 C2C B:HEM201 4.2 12.3 1.0 C3C B:HEM201 4.2 15.3 1.0 C3B B:HEM201 4.3 14.7 1.0 C2B B:HEM201 4.3 13.4 1.0 C2D B:HEM201 4.3 15.0 1.0 ND1 B:HIS87 4.3 12.3 1.0 C3D B:HEM201 4.3 19.2 1.0 C3A B:HEM201 4.3 14.3 1.0 CE1 B:HIS58 4.3 23.4 1.0 C2A B:HEM201 4.3 15.8 1.0 CG B:HIS87 4.3 13.6 1.0 NE2 B:HIS58 4.4 25.7 1.0 CG2 B:VAL62 4.8 15.5 1.0

Iron binding site 3 out of 4 in the Human Hemoglobin Immersed in Liquid Oxygen For 1 Minute


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Human Hemoglobin Immersed in Liquid Oxygen For 1 Minute within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:15.7 occ:1.00 FE C:HEM201 0.0 15.7 1.0 ND C:HEM201 2.0 14.1 1.0 NB C:HEM201 2.0 15.7 1.0 NC C:HEM201 2.1 16.1 1.0 NA C:HEM201 2.1 14.5 1.0 O C:HOH367 2.1 30.0 1.0 NE2 C:HIS92 2.2 14.2 1.0 C1D C:HEM201 3.0 16.6 1.0 C1B C:HEM201 3.1 17.0 1.0 C4D C:HEM201 3.1 15.8 1.0 C4A C:HEM201 3.1 16.9 1.0 C4C C:HEM201 3.1 15.2 1.0 C1C C:HEM201 3.1 16.7 1.0 C4B C:HEM201 3.1 17.3 1.0 C1A C:HEM201 3.1 15.1 1.0 CD2 C:HIS92 3.1 11.7 1.0 CE1 C:HIS92 3.2 15.4 1.0 CHD C:HEM201 3.4 15.7 1.0 CHB C:HEM201 3.4 15.2 1.0 CHC C:HEM201 3.4 16.5 1.0 CHA C:HEM201 3.5 14.8 1.0 NE2 C:HIS63 4.1 24.0 1.0 C2D C:HEM201 4.2 19.1 1.0 C3D C:HEM201 4.3 19.2 1.0 C2B C:HEM201 4.3 18.0 1.0 CG C:HIS92 4.3 12.1 1.0 C3A C:HEM201 4.3 15.9 1.0 C2C C:HEM201 4.3 14.9 1.0 C3B C:HEM201 4.3 16.1 1.0 C3C C:HEM201 4.3 15.2 1.0 C2A C:HEM201 4.3 21.4 1.0 ND1 C:HIS92 4.3 14.8 1.0 CG2 C:VAL67 4.7 16.6 1.0 CE1 C:HIS63 4.9 25.0 1.0

Iron binding site 4 out of 4 in the Human Hemoglobin Immersed in Liquid Oxygen For 1 Minute


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Human Hemoglobin Immersed in Liquid Oxygen For 1 Minute within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:11.9 occ:1.00 FE D:HEM201 0.0 11.9 1.0 ND D:HEM201 2.0 12.8 1.0 NC D:HEM201 2.0 11.9 1.0 NB D:HEM201 2.0 12.9 1.0 NA D:HEM201 2.0 10.9 1.0 NE2 D:HIS92 2.1 12.4 1.0 O D:HOH366 2.2 30.0 1.0 C1B D:HEM201 3.0 10.0 1.0 C1D D:HEM201 3.0 12.2 1.0 C4C D:HEM201 3.0 11.8 1.0 C4D D:HEM201 3.0 11.2 1.0 C1C D:HEM201 3.0 11.9 1.0 C1A D:HEM201 3.1 11.7 1.0 C4A D:HEM201 3.1 10.8 1.0 CE1 D:HIS92 3.1 12.8 1.0 C4B D:HEM201 3.1 11.2 1.0 CD2 D:HIS92 3.1 13.6 1.0 CHD D:HEM201 3.4 13.2 1.0 CHB D:HEM201 3.4 11.8 1.0 CHA D:HEM201 3.4 13.4 1.0 CHC D:HEM201 3.5 12.0 1.0 ND1 D:HIS92 4.2 13.6 1.0 NE2 D:HIS63 4.2 18.2 1.0 C2D D:HEM201 4.2 16.5 1.0 C3D D:HEM201 4.2 13.4 1.0 C2B D:HEM201 4.2 11.3 1.0 C2C D:HEM201 4.3 14.5 1.0 C3C D:HEM201 4.3 11.6 1.0 CG D:HIS92 4.3 14.4 1.0 C2A D:HEM201 4.3 14.3 1.0 C3A D:HEM201 4.3 13.8 1.0 C3B D:HEM201 4.3 9.7 1.0 CG2 D:VAL67 4.7 13.5 1.0 CE1 D:HIS63 4.8 17.4 1.0

J.R.Terrell, R.H.Gumpper, M.Luo. Hemoglobin Crystals Immersed in Liquid Oxygen Reveal Diffusion Channels. Biochem. Biophys. Res. V. 495 1858 2018COMMUN..
ISSN: ESSN 1090-2104
PubMed: 29246762
DOI: 10.1016/J.BBRC.2017.12.038