Iron in PDB 5woh: Human Hemoglobin Immersed in Liquid Oxygen For 20 Seconds

The structure of Human Hemoglobin Immersed in Liquid Oxygen For 20 Seconds, PDB code: 5woh 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)	37.72 / 1.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.430, 83.120, 83.680, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.7

The binding sites of Iron atom in the Human Hemoglobin Immersed in Liquid Oxygen For 20 Seconds (pdb code 5woh). 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 20 Seconds, PDB code: 5woh:
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 20 Seconds


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 20 Seconds within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:9.5 occ:1.00 FE A:HEM201 0.0 9.5 1.0 NB A:HEM201 2.0 11.1 1.0 ND A:HEM201 2.0 11.8 1.0 NA A:HEM201 2.0 9.8 1.0 NC A:HEM201 2.0 10.6 1.0 NE2 A:HIS87 2.1 11.1 1.0 O A:HOH312 2.2 17.1 1.0 C4B A:HEM201 3.0 13.1 1.0 C1D A:HEM201 3.0 10.1 1.0 C4D A:HEM201 3.0 12.8 1.0 C1A A:HEM201 3.0 10.3 1.0 CE1 A:HIS87 3.1 10.8 1.0 C4C A:HEM201 3.1 11.0 1.0 C1B A:HEM201 3.1 11.0 1.0 C4A A:HEM201 3.1 10.3 1.0 C1C A:HEM201 3.1 9.8 1.0 CD2 A:HIS87 3.2 10.7 1.0 CHD A:HEM201 3.4 10.4 1.0 CHA A:HEM201 3.4 10.6 1.0 CHC A:HEM201 3.4 11.0 1.0 CHB A:HEM201 3.4 12.2 1.0 ND1 A:HIS87 4.2 11.3 1.0 C3B A:HEM201 4.2 10.4 1.0 C2D A:HEM201 4.2 10.7 1.0 NE2 A:HIS58 4.3 17.2 1.0 C3D A:HEM201 4.3 11.5 1.0 C2B A:HEM201 4.3 11.8 1.0 C2A A:HEM201 4.3 12.1 1.0 C3A A:HEM201 4.3 14.4 1.0 CG A:HIS87 4.3 9.0 1.0 C3C A:HEM201 4.3 9.2 1.0 C2C A:HEM201 4.3 8.7 1.0 CE1 A:HIS58 4.4 13.7 1.0 CG2 A:VAL62 4.7 15.0 1.0

Iron binding site 2 out of 4 in the Human Hemoglobin Immersed in Liquid Oxygen For 20 Seconds


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 20 Seconds within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:13.0 occ:1.00 FE B:HEM201 0.0 13.0 1.0 ND B:HEM201 2.0 12.3 1.0 NA B:HEM201 2.0 10.3 1.0 NB B:HEM201 2.0 11.5 1.0 NC B:HEM201 2.0 11.0 1.0 NE2 B:HIS92 2.1 13.8 1.0 O B:HOH357 2.1 19.1 1.0 C1D B:HEM201 3.0 13.7 1.0 C4A B:HEM201 3.0 12.5 1.0 C1B B:HEM201 3.0 10.8 1.0 C4C B:HEM201 3.1 11.8 1.0 C4D B:HEM201 3.1 10.9 1.0 C1A B:HEM201 3.1 11.3 1.0 C1C B:HEM201 3.1 13.4 1.0 C4B B:HEM201 3.1 13.0 1.0 CE1 B:HIS92 3.1 14.0 1.0 CD2 B:HIS92 3.2 14.4 1.0 CHB B:HEM201 3.4 11.8 1.0 CHD B:HEM201 3.4 13.2 1.0 CHC B:HEM201 3.4 11.1 1.0 CHA B:HEM201 3.4 14.3 1.0 ND1 B:HIS92 4.2 14.3 1.0 C2D B:HEM201 4.2 13.8 1.0 C2B B:HEM201 4.2 9.4 1.0 C3A B:HEM201 4.2 13.9 1.0 NE2 B:HIS63 4.3 21.3 1.0 C3D B:HEM201 4.3 15.6 1.0 C2A B:HEM201 4.3 14.4 1.0 CG B:HIS92 4.3 14.2 1.0 C3B B:HEM201 4.3 9.8 1.0 C2C B:HEM201 4.3 10.8 1.0 C3C B:HEM201 4.3 11.9 1.0 CG2 B:VAL67 4.7 16.0 1.0 CE1 B:HIS63 4.9 16.8 1.0

Iron binding site 3 out of 4 in the Human Hemoglobin Immersed in Liquid Oxygen For 20 Seconds


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 20 Seconds within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:13.7 occ:1.00 FE C:HEM201 0.0 13.7 1.0 NC C:HEM201 2.0 10.5 1.0 NB C:HEM201 2.0 13.8 1.0 ND C:HEM201 2.0 15.5 1.0 NA C:HEM201 2.1 11.9 1.0 NE2 C:HIS87 2.2 12.1 1.0 O C:HOH314 2.2 23.9 1.0 C1C C:HEM201 3.0 15.4 1.0 C4B C:HEM201 3.0 12.7 1.0 C4C C:HEM201 3.0 11.8 1.0 C1B C:HEM201 3.0 12.3 1.0 C1D C:HEM201 3.0 13.2 1.0 C4A C:HEM201 3.1 16.6 1.0 C4D C:HEM201 3.1 15.2 1.0 C1A C:HEM201 3.1 14.2 1.0 CE1 C:HIS87 3.1 12.8 1.0 CD2 C:HIS87 3.2 12.3 1.0 CHC C:HEM201 3.4 15.2 1.0 CHB C:HEM201 3.4 14.4 1.0 CHD C:HEM201 3.4 15.1 1.0 CHA C:HEM201 3.5 15.8 1.0 NE2 C:HIS58 4.2 19.5 1.0 C2C C:HEM201 4.2 13.1 1.0 C3C C:HEM201 4.2 12.9 1.0 C3B C:HEM201 4.3 13.1 1.0 C2B C:HEM201 4.3 13.3 1.0 ND1 C:HIS87 4.3 13.6 1.0 C2D C:HEM201 4.3 15.5 1.0 C3D C:HEM201 4.3 16.0 1.0 C3A C:HEM201 4.3 15.6 1.0 CG C:HIS87 4.3 15.2 1.0 C2A C:HEM201 4.3 16.9 1.0 CE1 C:HIS58 4.6 23.1 1.0 CG2 C:VAL62 4.8 14.0 1.0

Iron binding site 4 out of 4 in the Human Hemoglobin Immersed in Liquid Oxygen For 20 Seconds


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 20 Seconds within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:15.8 occ:1.00 FE D:HEM201 0.0 15.8 1.0 O D:HOH344 1.9 30.0 1.0 ND D:HEM201 2.0 14.3 1.0 NA D:HEM201 2.0 16.3 1.0 NB D:HEM201 2.0 16.2 1.0 NC D:HEM201 2.0 15.6 1.0 NE2 D:HIS92 2.2 15.9 1.0 C1D D:HEM201 3.0 18.3 1.0 C4C D:HEM201 3.0 15.8 1.0 C1B D:HEM201 3.1 14.7 1.0 C4A D:HEM201 3.1 17.5 1.0 C4D D:HEM201 3.1 18.3 1.0 C1A D:HEM201 3.1 17.7 1.0 C1C D:HEM201 3.1 16.0 1.0 C4B D:HEM201 3.1 17.1 1.0 CD2 D:HIS92 3.1 12.6 1.0 CE1 D:HIS92 3.2 16.5 1.0 CHD D:HEM201 3.4 17.0 1.0 CHB D:HEM201 3.4 16.2 1.0 CHA D:HEM201 3.4 19.6 1.0 CHC D:HEM201 3.5 16.1 1.0 NE2 D:HIS63 4.2 24.9 1.0 C2D D:HEM201 4.2 21.0 1.0 C3D D:HEM201 4.3 21.1 1.0 C3A D:HEM201 4.3 15.6 1.0 C2B D:HEM201 4.3 17.3 1.0 C2A D:HEM201 4.3 22.8 1.0 C3C D:HEM201 4.3 16.8 1.0 C2C D:HEM201 4.3 15.4 1.0 CG D:HIS92 4.3 14.3 1.0 C3B D:HEM201 4.3 17.6 1.0 ND1 D:HIS92 4.3 15.7 1.0 CG2 D:VAL67 4.6 18.1 1.0 CE1 D:HIS63 5.0 25.7 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