Iron in PDB 6kaq: Carbonmonoxy Human Hemoglobin C in the R Quaternary Structure at 140 K: Dark

The structure of Carbonmonoxy Human Hemoglobin C in the R Quaternary Structure at 140 K: Dark, PDB code: 6kaq was solved by N.Shibayama, S.Y.Park, M.Ohki, A.Sato-Tomita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.21 / 1.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.583, 53.583, 192.812, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 22

The binding sites of Iron atom in the Carbonmonoxy Human Hemoglobin C in the R Quaternary Structure at 140 K: Dark (pdb code 6kaq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Carbonmonoxy Human Hemoglobin C in the R Quaternary Structure at 140 K: Dark, PDB code: 6kaq:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Carbonmonoxy Human Hemoglobin C in the R Quaternary Structure at 140 K: Dark


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Carbonmonoxy Human Hemoglobin C in the R Quaternary Structure at 140 K: Dark within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:15.9 occ:1.00 FE A:HEM201 0.0 15.9 1.0 C A:CMO202 1.7 15.3 1.0 NA A:HEM201 2.0 15.2 1.0 NE2 A:HIS87 2.0 15.4 1.0 NB A:HEM201 2.0 12.6 1.0 NC A:HEM201 2.1 14.7 1.0 ND A:HEM201 2.1 16.7 1.0 O A:CMO202 2.9 17.6 1.0 CE1 A:HIS87 3.0 17.7 1.0 C1A A:HEM201 3.0 16.2 1.0 C4A A:HEM201 3.1 15.6 1.0 C1B A:HEM201 3.1 15.1 1.0 C4D A:HEM201 3.1 17.2 1.0 C4B A:HEM201 3.1 13.1 1.0 C1C A:HEM201 3.1 15.9 1.0 CD2 A:HIS87 3.1 17.0 1.0 C4C A:HEM201 3.1 13.5 1.0 C1D A:HEM201 3.1 17.3 1.0 CHA A:HEM201 3.4 18.7 1.0 CHB A:HEM201 3.5 16.0 1.0 CHC A:HEM201 3.5 15.6 1.0 CHD A:HEM201 3.5 17.7 1.0 ND1 A:HIS87 4.1 16.9 1.0 CG A:HIS87 4.2 16.3 1.0 C2A A:HEM201 4.3 18.9 1.0 C3A A:HEM201 4.3 17.1 1.0 C3C A:HEM201 4.3 15.2 1.0 C2B A:HEM201 4.3 15.6 1.0 C2C A:HEM201 4.3 13.6 1.0 C2D A:HEM201 4.3 19.6 1.0 C3B A:HEM201 4.3 14.3 1.0 C3D A:HEM201 4.3 17.2 1.0 NE2 A:HIS58 4.4 22.3 1.0

Iron binding site 2 out of 2 in the Carbonmonoxy Human Hemoglobin C in the R Quaternary Structure at 140 K: Dark


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Carbonmonoxy Human Hemoglobin C in the R Quaternary Structure at 140 K: Dark within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:21.0 occ:1.00 FE B:HEM201 0.0 21.0 1.0 C B:CMO202 1.7 20.0 1.0 NE2 B:HIS92 2.0 22.1 1.0 NC B:HEM201 2.0 19.2 1.0 NA B:HEM201 2.1 19.8 1.0 NB B:HEM201 2.1 18.7 1.0 ND B:HEM201 2.1 23.3 1.0 O B:CMO202 2.9 26.4 1.0 CE1 B:HIS92 3.0 24.4 1.0 C1C B:HEM201 3.1 19.8 1.0 C4A B:HEM201 3.1 20.3 1.0 C4C B:HEM201 3.1 22.0 1.0 CD2 B:HIS92 3.1 22.8 1.0 C1A B:HEM201 3.1 21.3 1.0 C4B B:HEM201 3.1 20.8 1.0 C4D B:HEM201 3.1 21.5 1.0 C1B B:HEM201 3.1 20.1 1.0 C1D B:HEM201 3.1 24.7 1.0 CHC B:HEM201 3.5 20.5 1.0 CHA B:HEM201 3.5 23.6 1.0 CHB B:HEM201 3.5 22.3 1.0 CHD B:HEM201 3.5 24.7 1.0 ND1 B:HIS92 4.1 23.3 1.0 CG B:HIS92 4.2 20.1 1.0 C2C B:HEM201 4.2 21.4 1.0 C3A B:HEM201 4.3 21.9 1.0 C3C B:HEM201 4.3 20.5 1.0 C2A B:HEM201 4.3 26.4 1.0 C3B B:HEM201 4.3 19.8 1.0 C3D B:HEM201 4.3 22.0 1.0 C2B B:HEM201 4.3 21.6 1.0 C2D B:HEM201 4.3 22.6 1.0 NE2 B:HIS63 4.5 46.5 1.0 CG2 B:VAL67 4.7 51.3 1.0

N.Shibayama, A.Sato-Tomita, M.Ohki, K.Ichiyanagi, S.Y.Park. Direct Observation of Ligand Migration Within Human Hemoglobin at Work Proc.Natl.Acad.Sci.Usa 2020.
ISSN: ESSN 1091-6490