Iron in PDB 1ns9: The 1.6A Structure of Horse Methemoglobin at pH 7.1

The structure of The 1.6A Structure of Horse Methemoglobin at pH 7.1, PDB code: 1ns9 was solved by V.L.Robinson, B.B.Smith, A.Arnone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.45 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.400, 63.200, 54.600, 90.00, 110.90, 90.00
R / Rfree (%)	18 / 19.5

The binding sites of Iron atom in the The 1.6A Structure of Horse Methemoglobin at pH 7.1 (pdb code 1ns9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The 1.6A Structure of Horse Methemoglobin at pH 7.1, PDB code: 1ns9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The 1.6A Structure of Horse Methemoglobin at pH 7.1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The 1.6A Structure of Horse Methemoglobin at pH 7.1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:17.8 occ:1.00 FE A:HEM142 0.0 17.8 1.0 NA A:HEM142 2.0 17.1 1.0 NB A:HEM142 2.0 17.6 1.0 ND A:HEM142 2.1 17.8 1.0 NC A:HEM142 2.1 15.9 1.0 NE2 A:HIS87 2.1 16.4 1.0 O A:HOH5150 2.2 18.0 1.0 C4A A:HEM142 3.0 18.9 1.0 C1A A:HEM142 3.0 20.6 1.0 C1B A:HEM142 3.0 18.2 1.0 CE1 A:HIS87 3.0 16.2 1.0 C4C A:HEM142 3.1 15.4 1.0 C4D A:HEM142 3.1 19.0 1.0 C1D A:HEM142 3.1 17.6 1.0 C4B A:HEM142 3.1 16.8 1.0 C1C A:HEM142 3.1 15.6 1.0 CD2 A:HIS87 3.2 16.8 1.0 CHB A:HEM142 3.4 19.6 1.0 CHA A:HEM142 3.4 19.7 1.0 CHD A:HEM142 3.4 18.2 1.0 CHC A:HEM142 3.5 17.6 1.0 ND1 A:HIS87 4.2 18.0 1.0 C3A A:HEM142 4.2 20.4 1.0 C2A A:HEM142 4.2 21.7 1.0 C2B A:HEM142 4.3 18.6 1.0 C3C A:HEM142 4.3 14.7 1.0 C3B A:HEM142 4.3 17.5 1.0 C2C A:HEM142 4.3 14.8 1.0 CG A:HIS87 4.3 18.1 1.0 C3D A:HEM142 4.3 20.2 1.0 C2D A:HEM142 4.3 19.6 1.0 NE2 A:HIS58 4.4 20.8 1.0 CE1 A:HIS58 4.7 22.1 1.0

Iron binding site 2 out of 2 in the The 1.6A Structure of Horse Methemoglobin at pH 7.1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The 1.6A Structure of Horse Methemoglobin at pH 7.1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:19.2 occ:1.00 FE B:HEM147 0.0 19.2 1.0 NC B:HEM147 2.0 18.8 1.0 NB B:HEM147 2.0 18.9 1.0 ND B:HEM147 2.1 19.9 1.0 NA B:HEM147 2.1 20.5 1.0 O B:HOH9150 2.1 19.8 1.0 NE2 B:HIS92 2.2 21.1 1.0 C1C B:HEM147 3.0 18.4 1.0 C4B B:HEM147 3.0 19.1 1.0 C4C B:HEM147 3.0 18.5 1.0 C1D B:HEM147 3.1 20.2 1.0 C4D B:HEM147 3.1 21.3 1.0 C1B B:HEM147 3.1 20.7 1.0 C1A B:HEM147 3.1 22.1 1.0 C4A B:HEM147 3.1 20.7 1.0 CE1 B:HIS92 3.1 22.1 1.0 CD2 B:HIS92 3.2 22.8 1.0 CHC B:HEM147 3.3 17.7 1.0 CHD B:HEM147 3.4 20.7 1.0 CHA B:HEM147 3.5 20.8 1.0 CHB B:HEM147 3.5 21.6 1.0 NE2 B:HIS63 4.2 20.5 1.0 C2C B:HEM147 4.2 18.1 1.0 C3C B:HEM147 4.2 18.7 1.0 C3B B:HEM147 4.2 20.9 1.0 ND1 B:HIS92 4.3 23.5 1.0 C2B B:HEM147 4.3 20.2 1.0 C2D B:HEM147 4.3 22.3 1.0 C3D B:HEM147 4.3 22.8 1.0 CG B:HIS92 4.3 25.0 1.0 C2A B:HEM147 4.4 24.6 1.0 C3A B:HEM147 4.4 22.6 1.0 CE1 B:HIS63 4.7 22.0 1.0 CG2 B:VAL67 4.9 20.2 1.0

V.L.Robinson, B.B.Smith, A.Arnone. A pH-Dependent Aquomet-to-Hemichrome Transition in Crystalline Horse Methemoglobin Biochemistry V. 42 10113 2003.
ISSN: ISSN 0006-2960
PubMed: 12939139
DOI: 10.1021/BI030059T