Iron in PDB 6bb5: Human Oxy-Hemoglobin

The structure of Human Oxy-Hemoglobin, PDB code: 6bb5 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)	51.75 / 2.28
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.730, 53.730, 192.290, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.2

The binding sites of Iron atom in the Human Oxy-Hemoglobin (pdb code 6bb5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Human Oxy-Hemoglobin, PDB code: 6bb5:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Human Oxy-Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Oxy-Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:41.2 occ:1.00 FE A:HEM201 0.0 41.2 1.0 O1 A:OXY202 1.9 33.6 1.0 NA A:HEM201 2.0 32.8 1.0 NB A:HEM201 2.0 30.4 1.0 ND A:HEM201 2.1 27.9 1.0 NC A:HEM201 2.1 23.7 1.0 NE2 A:HIS87 2.1 27.7 1.0 O2 A:OXY202 2.6 27.3 1.0 CE1 A:HIS87 3.0 31.3 1.0 C4A A:HEM201 3.0 27.8 1.0 C1A A:HEM201 3.0 28.4 1.0 C1B A:HEM201 3.1 27.1 1.0 C4D A:HEM201 3.1 25.7 1.0 C1D A:HEM201 3.1 27.7 1.0 C4C A:HEM201 3.1 20.9 1.0 C4B A:HEM201 3.1 23.9 1.0 C1C A:HEM201 3.1 26.5 1.0 HE1 A:HIS87 3.1 37.6 1.0 CD2 A:HIS87 3.2 21.6 1.0 CHB A:HEM201 3.4 28.9 1.0 CHA A:HEM201 3.4 25.7 1.0 HD2 A:HIS87 3.4 25.9 1.0 CHD A:HEM201 3.4 24.6 1.0 CHC A:HEM201 3.4 24.3 1.0 HE2 A:HIS58 3.5 27.6 1.0 HE1 A:HIS58 4.0 27.5 1.0 HG22 A:VAL62 4.1 28.0 1.0 ND1 A:HIS87 4.2 26.1 1.0 NE2 A:HIS58 4.2 22.9 1.0 C3A A:HEM201 4.2 30.3 1.0 C2A A:HEM201 4.3 33.1 1.0 CG A:HIS87 4.3 24.9 1.0 C3D A:HEM201 4.3 28.8 1.0 C2B A:HEM201 4.3 27.7 1.0 C2D A:HEM201 4.3 30.0 1.0 C3B A:HEM201 4.3 22.9 1.0 C2C A:HEM201 4.3 22.0 1.0 C3C A:HEM201 4.3 22.9 1.0 HHA A:HEM201 4.4 30.8 1.0 HHB A:HEM201 4.4 34.7 1.0 HHD A:HEM201 4.4 29.6 1.0 HHC A:HEM201 4.4 29.2 1.0 CE1 A:HIS58 4.4 22.9 1.0 HZ A:PHE43 4.6 33.2 1.0 HD13 A:LEU91 4.7 39.9 1.0 CG2 A:VAL62 4.9 23.3 1.0 HD1 A:HIS87 4.9 31.4 1.0 HG21 A:VAL62 4.9 28.0 1.0 HG21 A:VAL93 4.9 29.4 1.0

Iron binding site 2 out of 2 in the Human Oxy-Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Oxy-Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:44.3 occ:1.00 FE B:HEM201 0.0 44.3 1.0 O1 B:OXY202 1.8 40.4 1.0 NE2 B:HIS92 2.0 32.5 1.0 NC B:HEM201 2.0 33.8 1.0 NA B:HEM201 2.0 30.3 1.0 ND B:HEM201 2.1 36.3 1.0 NB B:HEM201 2.1 28.2 1.0 O2 B:OXY202 2.6 37.7 1.0 CE1 B:HIS92 2.9 31.4 1.0 HE1 B:HIS92 3.0 37.7 1.0 C1C B:HEM201 3.0 31.2 1.0 C4A B:HEM201 3.1 32.5 1.0 C1B B:HEM201 3.1 29.5 1.0 C4C B:HEM201 3.1 33.1 1.0 C1A B:HEM201 3.1 36.1 1.0 C1D B:HEM201 3.1 34.1 1.0 C4D B:HEM201 3.1 36.4 1.0 C4B B:HEM201 3.1 28.7 1.0 CD2 B:HIS92 3.1 32.7 1.0 HE2 B:HIS63 3.4 47.0 1.0 HD2 B:HIS92 3.4 39.3 1.0 CHB B:HEM201 3.4 30.4 1.0 CHC B:HEM201 3.4 23.1 1.0 CHD B:HEM201 3.4 32.6 1.0 CHA B:HEM201 3.4 37.2 1.0 HG22 B:VAL67 3.8 40.2 1.0 ND1 B:HIS92 4.0 30.9 1.0 NE2 B:HIS63 4.2 39.1 1.0 CG B:HIS92 4.2 24.6 1.0 C2C B:HEM201 4.3 30.3 1.0 C3A B:HEM201 4.3 35.0 1.0 C2A B:HEM201 4.3 37.2 1.0 C2B B:HEM201 4.3 26.3 1.0 C3C B:HEM201 4.3 26.3 1.0 C2D B:HEM201 4.3 36.8 1.0 C3D B:HEM201 4.3 42.1 1.0 C3B B:HEM201 4.3 29.9 1.0 HHB B:HEM201 4.4 36.6 1.0 HHC B:HEM201 4.4 27.8 1.0 HHD B:HEM201 4.4 39.1 1.0 HHA B:HEM201 4.4 44.6 1.0 HG21 B:VAL67 4.5 40.2 1.0 CG2 B:VAL67 4.5 33.5 1.0 HZ B:PHE42 4.7 33.4 1.0 HE1 B:HIS63 4.7 42.6 1.0 HD1 B:HIS92 4.8 37.1 1.0 HD21 B:LEU141 4.8 36.0 1.0 CE1 B:HIS63 4.8 35.5 1.0 HG23 B:VAL67 4.9 40.2 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