Iron in PDB 1iwh: Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution: A Novel Allosteric Binding Site in R-State Hemoglobin

The structure of Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution: A Novel Allosteric Binding Site in R-State Hemoglobin, PDB code: 1iwh was solved by N.Shibayama, S.Miura, J.R.H.Tame, T.Yonetani, S.-Y.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.55
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	62.396, 107.496, 86.745, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 23.3

The structure of Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution: A Novel Allosteric Binding Site in R-State Hemoglobin also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution: A Novel Allosteric Binding Site in R-State Hemoglobin (pdb code 1iwh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution: A Novel Allosteric Binding Site in R-State Hemoglobin, PDB code: 1iwh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution: A Novel Allosteric Binding Site in R-State Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution: A Novel Allosteric Binding Site in R-State Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:8.3 occ:1.00 FE A:HEM142 0.0 8.3 1.0 C A:CMO143 1.4 7.1 1.0 NB A:HEM142 2.0 8.9 1.0 ND A:HEM142 2.0 15.3 1.0 NA A:HEM142 2.0 11.1 1.0 NC A:HEM142 2.0 9.5 1.0 NE2 A:HIS87 2.0 12.5 1.0 O A:CMO143 2.8 7.3 1.0 C1A A:HEM142 2.9 9.4 1.0 CE1 A:HIS87 3.0 12.1 1.0 C4D A:HEM142 3.0 13.2 1.0 C1C A:HEM142 3.0 8.0 1.0 C1B A:HEM142 3.0 10.4 1.0 C1D A:HEM142 3.0 11.8 1.0 CD2 A:HIS87 3.1 10.9 1.0 C4B A:HEM142 3.1 10.2 1.0 C4C A:HEM142 3.1 10.7 1.0 C4A A:HEM142 3.1 11.5 1.0 CHB A:HEM142 3.3 11.5 1.0 CHD A:HEM142 3.4 12.9 1.0 CHC A:HEM142 3.4 9.3 1.0 CHA A:HEM142 3.5 8.3 1.0 ND1 A:HIS87 4.1 10.8 1.0 CG A:HIS87 4.2 13.5 1.0 C2A A:HEM142 4.2 11.7 1.0 C2D A:HEM142 4.3 14.0 1.0 C3D A:HEM142 4.3 14.5 1.0 NE2 A:HIS58 4.3 12.8 1.0 C2B A:HEM142 4.3 7.3 1.0 C3B A:HEM142 4.3 7.4 1.0 C2C A:HEM142 4.3 10.0 1.0 C3C A:HEM142 4.3 14.7 1.0 C3A A:HEM142 4.3 11.8 1.0 CG2 A:VAL62 4.9 7.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution: A Novel Allosteric Binding Site in R-State Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution: A Novel Allosteric Binding Site in R-State Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe347 b:9.4 occ:1.00 FE B:HEM347 0.0 9.4 1.0 C B:CMO348 1.4 14.6 1.0 NC B:HEM347 2.0 8.0 1.0 NB B:HEM347 2.0 9.5 1.0 ND B:HEM347 2.0 13.6 1.0 NA B:HEM347 2.0 6.8 1.0 NE2 B:HIS292 2.0 7.6 1.0 O B:CMO348 2.8 10.8 1.0 C4C B:HEM347 2.9 8.2 1.0 CE1 B:HIS292 3.0 11.1 1.0 C4D B:HEM347 3.0 12.8 1.0 C1A B:HEM347 3.0 14.0 1.0 C1B B:HEM347 3.0 15.7 1.0 C4A B:HEM347 3.1 8.7 1.0 C4B B:HEM347 3.1 9.2 1.0 C1D B:HEM347 3.1 8.2 1.0 CD2 B:HIS292 3.1 7.8 1.0 C1C B:HEM347 3.1 12.7 1.0 CHA B:HEM347 3.4 12.4 1.0 CHD B:HEM347 3.4 11.6 1.0 CHB B:HEM347 3.4 13.3 1.0 CHC B:HEM347 3.5 7.6 1.0 ND1 B:HIS292 4.1 10.8 1.0 C3C B:HEM347 4.2 8.1 1.0 CG B:HIS292 4.2 9.1 1.0 C2C B:HEM347 4.3 13.3 1.0 C3B B:HEM347 4.3 15.0 1.0 C3D B:HEM347 4.3 15.1 1.0 C2B B:HEM347 4.3 12.1 1.0 C2A B:HEM347 4.3 13.3 1.0 C2D B:HEM347 4.3 13.4 1.0 C3A B:HEM347 4.3 12.0 1.0 NE2 B:HIS263 4.5 16.8 1.0 CG2 B:VAL267 4.6 10.9 1.0

N.Shibayama, S.Miura, J.R.H.Tame, T.Yonetani, S.-Y.Park. Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution. A Novel Allosteric Binding Site in R-State Hemoglobin J.Biol.Chem. V. 277 38791 2002.
ISSN: ISSN 0021-9258
PubMed: 12122004
DOI: 10.1074/JBC.M205461200