Iron in PDB 3p5q: Ferric R-State Human Aquomethemoglobin

The structure of Ferric R-State Human Aquomethemoglobin, PDB code: 3p5q was solved by J.Yi, L.M.Thomas, G.B.Richter-Addo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.14 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.546, 53.546, 192.760, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 26.7

The binding sites of Iron atom in the Ferric R-State Human Aquomethemoglobin (pdb code 3p5q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ferric R-State Human Aquomethemoglobin, PDB code: 3p5q:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ferric R-State Human Aquomethemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferric R-State Human Aquomethemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:28.2 occ:1.00 FE A:HEM142 0.0 28.2 1.0 NA A:HEM142 2.0 28.3 1.0 NC A:HEM142 2.1 23.5 1.0 NB A:HEM142 2.1 25.2 1.0 ND A:HEM142 2.1 29.1 1.0 NE2 A:HIS87 2.2 25.0 1.0 O A:HOH204 2.2 24.9 1.0 C4A A:HEM142 3.0 28.3 1.0 C4C A:HEM142 3.0 25.7 1.0 C1B A:HEM142 3.1 26.8 1.0 C1A A:HEM142 3.1 27.1 1.0 C1D A:HEM142 3.1 27.4 1.0 C1C A:HEM142 3.1 24.8 1.0 C4B A:HEM142 3.1 25.4 1.0 C4D A:HEM142 3.1 27.9 1.0 CD2 A:HIS87 3.2 26.0 1.0 CE1 A:HIS87 3.2 29.1 1.0 CHB A:HEM142 3.4 24.6 1.0 CHD A:HEM142 3.4 24.7 1.0 CHA A:HEM142 3.5 29.6 1.0 CHC A:HEM142 3.5 25.7 1.0 NE2 A:HIS58 4.1 25.9 1.0 C3A A:HEM142 4.3 31.9 1.0 C3C A:HEM142 4.3 27.1 1.0 C2A A:HEM142 4.3 28.4 1.0 ND1 A:HIS87 4.3 25.9 1.0 C2C A:HEM142 4.3 25.6 1.0 C2B A:HEM142 4.3 25.6 1.0 CG A:HIS87 4.3 28.1 1.0 C2D A:HEM142 4.3 28.6 1.0 C3B A:HEM142 4.3 25.4 1.0 C3D A:HEM142 4.4 30.3 1.0 CE1 A:HIS58 4.5 28.2 1.0 CG2 A:VAL62 5.0 25.4 1.0

Iron binding site 2 out of 2 in the Ferric R-State Human Aquomethemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferric R-State Human Aquomethemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:46.4 occ:1.00 FE B:HEM147 0.0 46.4 1.0 NA B:HEM147 2.1 44.0 1.0 ND B:HEM147 2.1 46.4 1.0 NC B:HEM147 2.1 44.7 1.0 NB B:HEM147 2.1 42.0 1.0 NE2 B:HIS92 2.2 37.8 1.0 O B:HOH166 2.5 40.3 1.0 CD2 B:HIS92 3.0 42.2 1.0 C1A B:HEM147 3.1 45.3 1.0 C4A B:HEM147 3.1 42.8 1.0 C1D B:HEM147 3.1 46.8 1.0 C4C B:HEM147 3.1 44.1 1.0 C4D B:HEM147 3.1 46.5 1.0 C1C B:HEM147 3.1 43.6 1.0 C1B B:HEM147 3.1 43.2 1.0 C4B B:HEM147 3.2 43.7 1.0 CE1 B:HIS92 3.2 44.1 1.0 CHD B:HEM147 3.4 42.0 1.0 CHA B:HEM147 3.4 43.9 1.0 CHB B:HEM147 3.5 43.2 1.0 CHC B:HEM147 3.5 41.1 1.0 NE2 B:HIS63 4.1 44.1 1.0 CG B:HIS92 4.2 40.5 1.0 C2A B:HEM147 4.3 47.8 1.0 C3A B:HEM147 4.3 43.7 1.0 ND1 B:HIS92 4.3 44.2 1.0 C2D B:HEM147 4.3 47.3 1.0 C3D B:HEM147 4.3 47.8 1.0 C3C B:HEM147 4.3 42.3 1.0 C2C B:HEM147 4.3 43.4 1.0 C2B B:HEM147 4.4 43.1 1.0 C3B B:HEM147 4.4 42.7 1.0 CE1 B:HIS63 4.6 46.0 1.0 CG2 B:VAL67 4.8 39.0 1.0

J.Yi, L.M.Thomas, G.B.Richter-Addo. Structure of Human R-State Aquomethemoglobin at 2.0 A Resolution Acta Crystallogr.,Sect.F V. 67 647 2011.
ISSN: ESSN 1744-3091
PubMed: 21636902
DOI: 10.1107/S1744309111012528