Iron in PDB 6kap: Carbonmonoxy Human Hemoglobin C in the R Quaternary Structure at 95 K: Light

The structure of Carbonmonoxy Human Hemoglobin C in the R Quaternary Structure at 95 K: Light, PDB code: 6kap 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)	18.92 / 1.45
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.526, 53.526, 192.768, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 21.1

The binding sites of Iron atom in the Carbonmonoxy Human Hemoglobin C in the R Quaternary Structure at 95 K: Light (pdb code 6kap). 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 95 K: Light, PDB code: 6kap:
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 95 K: Light


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 95 K: Light within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:17.0 occ:1.00 FE A:HEM201 0.0 17.0 1.0 C A:CMO202 1.7 16.6 1.0 NE2 A:HIS87 2.0 17.1 1.0 NA A:HEM201 2.0 17.1 1.0 NB A:HEM201 2.1 13.8 1.0 ND A:HEM201 2.1 17.4 1.0 NC A:HEM201 2.1 14.1 1.0 O A:CMO202 3.0 19.4 1.0 CE1 A:HIS87 3.0 18.1 1.0 C1A A:HEM201 3.0 17.3 1.0 C4D A:HEM201 3.1 19.6 1.0 CD2 A:HIS87 3.1 16.9 1.0 C1C A:HEM201 3.1 16.7 1.0 C4A A:HEM201 3.1 15.4 1.0 C4B A:HEM201 3.1 13.9 1.0 C1B A:HEM201 3.1 16.6 1.0 C1D A:HEM201 3.1 18.0 1.0 C4C A:HEM201 3.1 14.3 1.0 CHA A:HEM201 3.4 19.3 1.0 CHC A:HEM201 3.5 16.2 1.0 CHB A:HEM201 3.5 16.9 1.0 CHD A:HEM201 3.5 18.2 1.0 ND1 A:HIS87 4.1 17.8 1.0 CG A:HIS87 4.2 17.3 1.0 C2A A:HEM201 4.3 19.4 1.0 C2C A:HEM201 4.3 14.6 1.0 C3A A:HEM201 4.3 18.7 1.0 C3D A:HEM201 4.3 18.6 1.0 C3C A:HEM201 4.3 15.7 1.0 C2D A:HEM201 4.3 20.0 1.0 C3B A:HEM201 4.3 15.0 1.0 C2B A:HEM201 4.3 16.5 1.0 NE2 A:HIS58 4.5 28.9 1.0

Iron binding site 2 out of 2 in the Carbonmonoxy Human Hemoglobin C in the R Quaternary Structure at 95 K: Light


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 95 K: Light within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:22.7 occ:1.00 FE B:HEM201 0.0 22.7 1.0 C B:CMO202 1.8 21.5 1.0 NE2 B:HIS92 2.0 23.4 1.0 NA B:HEM201 2.0 20.4 1.0 NB B:HEM201 2.1 20.7 1.0 NC B:HEM201 2.1 22.1 1.0 ND B:HEM201 2.1 24.4 1.0 CE1 B:HIS92 3.0 26.1 1.0 O B:CMO202 3.0 26.7 1.0 C4A B:HEM201 3.1 20.9 1.0 C1C B:HEM201 3.1 20.5 1.0 C1A B:HEM201 3.1 22.7 1.0 C4D B:HEM201 3.1 24.5 1.0 CD2 B:HIS92 3.1 23.0 1.0 C4B B:HEM201 3.1 21.7 1.0 C1B B:HEM201 3.1 21.0 1.0 C4C B:HEM201 3.1 25.2 1.0 C1D B:HEM201 3.1 25.6 1.0 CHA B:HEM201 3.5 24.9 1.0 CHB B:HEM201 3.5 22.5 1.0 CHC B:HEM201 3.5 20.6 1.0 CHD B:HEM201 3.5 26.2 1.0 ND1 B:HIS92 4.1 23.9 1.0 CG B:HIS92 4.2 20.6 1.0 C3A B:HEM201 4.2 24.8 1.0 C2A B:HEM201 4.3 30.2 1.0 C2C B:HEM201 4.3 21.3 1.0 C3C B:HEM201 4.3 22.8 1.0 C3D B:HEM201 4.3 23.6 1.0 C3B B:HEM201 4.3 21.3 1.0 C2B B:HEM201 4.3 25.4 1.0 C2D B:HEM201 4.3 25.9 1.0 NE2 B:HIS63 4.4 57.5 1.0 CG2 B:VAL67 4.6 57.3 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