Iron in PDB 1k1k: Structure of Mutant Human Carbonmonoxyhemoglobin C (Beta E6K) at 2.0 Angstrom Resolution in Phosphate Buffer.

The structure of Structure of Mutant Human Carbonmonoxyhemoglobin C (Beta E6K) at 2.0 Angstrom Resolution in Phosphate Buffer., PDB code: 1k1k was solved by J.C.Dewan, A.Taylor-Feeling, Y.A.Puius, L.Patskovska, Y.Patskovsky, R.L.Nagel, S.C.Almo, R.E.Hirsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.55 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.160, 54.160, 195.300, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23.8

The binding sites of Iron atom in the Structure of Mutant Human Carbonmonoxyhemoglobin C (Beta E6K) at 2.0 Angstrom Resolution in Phosphate Buffer. (pdb code 1k1k). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Mutant Human Carbonmonoxyhemoglobin C (Beta E6K) at 2.0 Angstrom Resolution in Phosphate Buffer., PDB code: 1k1k:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Mutant Human Carbonmonoxyhemoglobin C (Beta E6K) at 2.0 Angstrom Resolution in Phosphate Buffer.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Mutant Human Carbonmonoxyhemoglobin C (Beta E6K) at 2.0 Angstrom Resolution in Phosphate Buffer. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:15.3 occ:1.00 FE A:HEM142 0.0 15.3 1.0 C A:CMO143 1.8 16.1 1.0 NA A:HEM142 1.9 15.0 1.0 ND A:HEM142 1.9 16.1 1.0 NC A:HEM142 2.0 14.6 1.0 NB A:HEM142 2.0 14.8 1.0 NE2 A:HIS87 2.2 12.5 1.0 O A:CMO143 2.9 22.0 1.0 C1A A:HEM142 3.0 16.4 1.0 C4D A:HEM142 3.0 15.6 1.0 C1D A:HEM142 3.0 13.3 1.0 C4A A:HEM142 3.0 15.7 1.0 C1C A:HEM142 3.0 18.4 1.0 C4C A:HEM142 3.0 13.5 1.0 C4B A:HEM142 3.0 16.3 1.0 C1B A:HEM142 3.1 13.2 1.0 CE1 A:HIS87 3.1 9.5 1.0 CD2 A:HIS87 3.2 12.6 1.0 CHA A:HEM142 3.3 14.8 1.0 CHD A:HEM142 3.4 10.5 1.0 CHC A:HEM142 3.4 15.2 1.0 CHB A:HEM142 3.4 12.4 1.0 C2A A:HEM142 4.2 18.5 1.0 C3D A:HEM142 4.2 18.4 1.0 C2D A:HEM142 4.2 16.4 1.0 C3A A:HEM142 4.2 17.1 1.0 C3C A:HEM142 4.2 14.5 1.0 C2C A:HEM142 4.3 13.9 1.0 C3B A:HEM142 4.3 11.7 1.0 CG A:HIS87 4.3 12.1 1.0 ND1 A:HIS87 4.3 14.8 1.0 C2B A:HEM142 4.3 16.1 1.0 NE2 A:HIS58 4.4 12.3 1.0

Iron binding site 2 out of 2 in the Structure of Mutant Human Carbonmonoxyhemoglobin C (Beta E6K) at 2.0 Angstrom Resolution in Phosphate Buffer.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Mutant Human Carbonmonoxyhemoglobin C (Beta E6K) at 2.0 Angstrom Resolution in Phosphate Buffer. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:19.3 occ:1.00 FE B:HEM147 0.0 19.3 1.0 C B:CMO148 1.8 23.5 1.0 NB B:HEM147 2.0 16.3 1.0 NA B:HEM147 2.0 18.2 1.0 ND B:HEM147 2.0 21.0 1.0 NC B:HEM147 2.0 20.5 1.0 NE2 B:HIS92 2.1 15.8 1.0 O B:CMO148 2.9 32.0 1.0 CE1 B:HIS92 3.0 20.7 1.0 C1A B:HEM147 3.0 17.8 1.0 C4B B:HEM147 3.0 16.7 1.0 C4D B:HEM147 3.0 22.1 1.0 C1B B:HEM147 3.0 14.7 1.0 C4A B:HEM147 3.0 20.0 1.0 C1D B:HEM147 3.0 21.4 1.0 CD2 B:HIS92 3.1 18.8 1.0 C1C B:HEM147 3.1 16.2 1.0 C4C B:HEM147 3.1 18.1 1.0 CHA B:HEM147 3.4 16.7 1.0 CHB B:HEM147 3.4 15.5 1.0 CHC B:HEM147 3.4 11.8 1.0 CHD B:HEM147 3.4 16.6 1.0 CG B:HIS92 4.2 17.0 1.0 ND1 B:HIS92 4.2 21.7 1.0 C3D B:HEM147 4.2 22.1 1.0 C3B B:HEM147 4.2 15.6 1.0 C2B B:HEM147 4.2 15.0 1.0 C2A B:HEM147 4.3 20.9 1.0 C2D B:HEM147 4.3 24.1 1.0 C3A B:HEM147 4.3 19.1 1.0 C2C B:HEM147 4.4 18.0 1.0 C3C B:HEM147 4.4 19.4 1.0 NE2 B:HIS63 4.6 30.1 1.0 CG2 B:VAL67 4.8 19.6 1.0

J.C.Dewan, A.Feeling-Taylor, Y.A.Puius, L.Patskovska, Y.Patskovsky, R.L.Nagel, S.C.Almo, R.E.Hirsch. Structure of Mutant Human Carbonmonoxyhemoglobin C (BETAE6K) at 2.0 A Resolution. Acta Crystallogr.,Sect.D V. 58 2038 2002.
ISSN: ISSN 0907-4449
PubMed: 12454462
DOI: 10.1107/S0907444902016426