Iron in PDB 1ch4: Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V)

The structure of Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V), PDB code: 1ch4 was solved by T.Shirai, M.Fujikake, T.Yamane, K.Inaba, K.Ishimori, I.Morishima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.870, 81.310, 55.110, 90.00, 90.96, 90.00
R / Rfree (%)	18.8 / 24.4

The binding sites of Iron atom in the Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V) (pdb code 1ch4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V), PDB code: 1ch4:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:24.2 occ:1.00 FE A:HEM147 0.0 24.2 1.0 C A:CMO148 1.9 23.9 1.0 ND A:HEM147 2.0 22.5 1.0 NC A:HEM147 2.0 17.7 1.0 NA A:HEM147 2.0 21.5 1.0 NB A:HEM147 2.0 22.4 1.0 NE2 A:HIS92 2.2 18.7 1.0 O A:CMO148 3.0 34.4 1.0 C1D A:HEM147 3.0 24.3 1.0 C1C A:HEM147 3.0 14.8 1.0 C4D A:HEM147 3.0 28.4 1.0 C1B A:HEM147 3.0 20.1 1.0 C4C A:HEM147 3.0 17.5 1.0 C4A A:HEM147 3.0 24.6 1.0 C1A A:HEM147 3.0 25.5 1.0 C4B A:HEM147 3.0 21.4 1.0 CE1 A:HIS92 3.1 19.1 1.0 CD2 A:HIS92 3.1 15.5 1.0 CHD A:HEM147 3.4 22.5 1.0 CHC A:HEM147 3.4 16.7 1.0 CHB A:HEM147 3.4 23.2 1.0 CHA A:HEM147 3.4 25.9 1.0 C3D A:HEM147 4.2 29.4 1.0 C2D A:HEM147 4.2 23.8 1.0 ND1 A:HIS92 4.2 15.5 1.0 C2C A:HEM147 4.2 12.3 1.0 CG A:HIS92 4.3 16.8 1.0 C3A A:HEM147 4.3 27.6 1.0 C2B A:HEM147 4.3 21.2 1.0 C3C A:HEM147 4.3 11.2 1.0 C2A A:HEM147 4.3 31.8 1.0 C3B A:HEM147 4.3 24.1 1.0 NE2 A:HIS63 4.4 29.7 1.0 CE1 A:HIS63 4.9 29.0 1.0

Iron binding site 2 out of 4 in the Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:24.2 occ:1.00 FE B:HEM147 0.0 24.2 1.0 C B:CMO148 1.9 23.9 1.0 ND B:HEM147 2.0 22.5 1.0 NC B:HEM147 2.0 17.7 1.0 NA B:HEM147 2.0 21.5 1.0 NB B:HEM147 2.0 22.4 1.0 NE2 B:HIS92 2.2 18.7 1.0 O B:CMO148 3.0 34.4 1.0 C1D B:HEM147 3.0 24.3 1.0 C1C B:HEM147 3.0 14.8 1.0 C4D B:HEM147 3.0 28.4 1.0 C1B B:HEM147 3.0 20.1 1.0 C4C B:HEM147 3.0 17.5 1.0 C4A B:HEM147 3.0 24.6 1.0 C1A B:HEM147 3.0 25.5 1.0 C4B B:HEM147 3.0 21.4 1.0 CE1 B:HIS92 3.1 19.1 1.0 CD2 B:HIS92 3.1 15.5 1.0 CHD B:HEM147 3.4 22.5 1.0 CHC B:HEM147 3.4 16.7 1.0 CHB B:HEM147 3.4 23.2 1.0 CHA B:HEM147 3.4 25.9 1.0 C3D B:HEM147 4.2 29.4 1.0 C2D B:HEM147 4.2 23.8 1.0 ND1 B:HIS92 4.2 15.5 1.0 C2C B:HEM147 4.2 12.3 1.0 CG B:HIS92 4.3 16.8 1.0 C3A B:HEM147 4.3 27.6 1.0 C2B B:HEM147 4.3 21.2 1.0 C3C B:HEM147 4.3 11.2 1.0 C2A B:HEM147 4.3 31.8 1.0 C3B B:HEM147 4.3 24.1 1.0 NE2 B:HIS63 4.4 29.7 1.0 CE1 B:HIS63 4.9 29.0 1.0

Iron binding site 3 out of 4 in the Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe147 b:18.5 occ:1.00 FE C:HEM147 0.0 18.5 1.0 C C:CMO148 1.9 22.5 1.0 NC C:HEM147 2.0 11.3 1.0 ND C:HEM147 2.0 17.1 1.0 NA C:HEM147 2.0 20.5 1.0 NB C:HEM147 2.0 16.1 1.0 NE2 C:HIS92 2.2 13.6 1.0 O C:CMO148 3.0 33.6 1.0 C1D C:HEM147 3.0 20.0 1.0 C1C C:HEM147 3.0 9.6 1.0 C4C C:HEM147 3.0 14.0 1.0 C1A C:HEM147 3.0 20.5 1.0 C4A C:HEM147 3.0 16.1 1.0 C4D C:HEM147 3.0 20.3 1.0 C4B C:HEM147 3.0 13.0 1.0 C1B C:HEM147 3.0 12.3 1.0 CE1 C:HIS92 3.1 15.4 1.0 CD2 C:HIS92 3.2 17.1 1.0 CHD C:HEM147 3.4 19.2 1.0 CHC C:HEM147 3.4 9.4 1.0 CHA C:HEM147 3.4 16.6 1.0 CHB C:HEM147 3.4 11.8 1.0 C2D C:HEM147 4.2 18.9 1.0 C2C C:HEM147 4.2 11.9 1.0 C3A C:HEM147 4.2 16.7 1.0 C2A C:HEM147 4.2 23.6 1.0 C3C C:HEM147 4.3 13.4 1.0 C3D C:HEM147 4.3 20.4 1.0 C2B C:HEM147 4.3 13.1 1.0 C3B C:HEM147 4.3 16.0 1.0 NE2 C:HIS63 4.3 22.2 1.0 ND1 C:HIS92 4.3 14.5 1.0 CG C:HIS92 4.3 15.7 1.0 CE1 C:HIS63 4.9 21.2 1.0 CG2 C:VAL67 4.9 2.6 1.0

Iron binding site 4 out of 4 in the Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Module-Substituted Chimera Hemoglobin Beta-Alpha (F133V) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:18.5 occ:1.00 FE D:HEM147 0.0 18.5 1.0 C D:CMO148 1.9 22.5 1.0 NC D:HEM147 2.0 11.3 1.0 ND D:HEM147 2.0 17.1 1.0 NA D:HEM147 2.0 20.5 1.0 NB D:HEM147 2.0 16.1 1.0 NE2 D:HIS92 2.2 13.6 1.0 O D:CMO148 3.0 33.6 1.0 C1D D:HEM147 3.0 20.0 1.0 C1C D:HEM147 3.0 9.6 1.0 C4C D:HEM147 3.0 14.0 1.0 C1A D:HEM147 3.0 20.5 1.0 C4A D:HEM147 3.0 16.1 1.0 C4D D:HEM147 3.0 20.3 1.0 C4B D:HEM147 3.0 13.0 1.0 C1B D:HEM147 3.0 12.3 1.0 CE1 D:HIS92 3.1 15.4 1.0 CD2 D:HIS92 3.2 17.1 1.0 CHD D:HEM147 3.4 19.2 1.0 CHC D:HEM147 3.4 9.4 1.0 CHA D:HEM147 3.4 16.6 1.0 CHB D:HEM147 3.4 11.8 1.0 C2D D:HEM147 4.2 18.9 1.0 C2C D:HEM147 4.2 11.9 1.0 C3A D:HEM147 4.2 16.7 1.0 C2A D:HEM147 4.2 23.6 1.0 C3D D:HEM147 4.3 20.4 1.0 C3C D:HEM147 4.3 13.4 1.0 C2B D:HEM147 4.3 13.1 1.0 C3B D:HEM147 4.3 16.0 1.0 NE2 D:HIS63 4.3 22.2 1.0 ND1 D:HIS92 4.3 14.5 1.0 CG D:HIS92 4.3 15.7 1.0 CE1 D:HIS63 4.9 21.2 1.0 CG2 D:VAL67 4.9 2.6 1.0

T.Shirai, M.Fujikake, T.Yamane, K.Inaba, K.Ishimori, I.Morishima. Crystal Structure of A Protein with An Artificial Exon-Shuffling, Module M4-Substituted Chimera Hemoglobin Beta Alpha, at 2.5 A Resolution. J.Mol.Biol. V. 287 369 1999.
ISSN: ISSN 0022-2836
PubMed: 10080899
DOI: 10.1006/JMBI.1999.2603