Iron in PDB 1fsx: The X-Ray Structure Determination of Bovine Carbonmonoxy Hb at 2.1 A Resolution and Its Relationship to the Quaternary Structure of Other Hb Crystal Forms

The structure of The X-Ray Structure Determination of Bovine Carbonmonoxy Hb at 2.1 A Resolution and Its Relationship to the Quaternary Structure of Other Hb Crystal Forms, PDB code: 1fsx was solved by M.K.Safo, D.J.Abraham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.50 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.410, 110.630, 65.400, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 25.4

The binding sites of Iron atom in the The X-Ray Structure Determination of Bovine Carbonmonoxy Hb at 2.1 A Resolution and Its Relationship to the Quaternary Structure of Other Hb Crystal Forms (pdb code 1fsx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The X-Ray Structure Determination of Bovine Carbonmonoxy Hb at 2.1 A Resolution and Its Relationship to the Quaternary Structure of Other Hb Crystal Forms, PDB code: 1fsx:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the The X-Ray Structure Determination of Bovine Carbonmonoxy Hb at 2.1 A Resolution and Its Relationship to the Quaternary Structure of Other Hb Crystal Forms


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The X-Ray Structure Determination of Bovine Carbonmonoxy Hb at 2.1 A Resolution and Its Relationship to the Quaternary Structure of Other Hb Crystal Forms within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:27.4 occ:1.00 FE A:HEM143 0.0 27.4 1.0 C A:CMO142 1.8 27.3 1.0 NB A:HEM143 1.9 34.6 1.0 NC A:HEM143 1.9 33.2 1.0 NE2 A:HIS87 2.0 29.1 1.0 NA A:HEM143 2.0 35.0 1.0 ND A:HEM143 2.1 35.0 1.0 O A:CMO142 2.9 33.8 1.0 C4B A:HEM143 3.0 29.5 1.0 CE1 A:HIS87 3.0 25.1 1.0 C1B A:HEM143 3.0 35.3 1.0 C1C A:HEM143 3.0 27.7 1.0 C4C A:HEM143 3.0 33.3 1.0 C1A A:HEM143 3.1 38.6 1.0 CD2 A:HIS87 3.1 26.5 1.0 C4A A:HEM143 3.1 33.4 1.0 C4D A:HEM143 3.1 35.0 1.0 C1D A:HEM143 3.2 34.2 1.0 CHC A:HEM143 3.4 27.6 1.0 CHA A:HEM143 3.5 33.4 1.0 CHB A:HEM143 3.5 35.4 1.0 CHD A:HEM143 3.5 31.5 1.0 ND1 A:HIS87 4.2 28.5 1.0 CG A:HIS87 4.2 22.9 1.0 C3B A:HEM143 4.2 32.2 1.0 C2B A:HEM143 4.3 33.3 1.0 C3C A:HEM143 4.3 35.7 1.0 C2C A:HEM143 4.3 31.2 1.0 C2A A:HEM143 4.3 38.9 1.0 C3A A:HEM143 4.4 35.3 1.0 C3D A:HEM143 4.4 34.8 1.0 C2D A:HEM143 4.4 33.2 1.0 NE2 A:HIS58 4.5 36.1 1.0 CG2 A:VAL62 4.9 28.1 1.0 CE1 A:HIS58 4.9 33.7 1.0

Iron binding site 2 out of 4 in the The X-Ray Structure Determination of Bovine Carbonmonoxy Hb at 2.1 A Resolution and Its Relationship to the Quaternary Structure of Other Hb Crystal Forms


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The X-Ray Structure Determination of Bovine Carbonmonoxy Hb at 2.1 A Resolution and Its Relationship to the Quaternary Structure of Other Hb Crystal Forms within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe348 b:34.1 occ:1.00 FE B:HEM348 0.0 34.1 1.0 C B:CMO347 1.8 33.0 1.0 ND B:HEM348 1.9 34.0 1.0 NB B:HEM348 2.0 32.9 1.0 NC B:HEM348 2.1 34.9 1.0 NA B:HEM348 2.1 38.3 1.0 NE2 B:HIS292 2.1 32.4 1.0 O B:CMO347 2.9 38.2 1.0 C4D B:HEM348 3.0 36.5 1.0 C1D B:HEM348 3.0 32.1 1.0 C4B B:HEM348 3.0 34.3 1.0 C4C B:HEM348 3.1 31.2 1.0 C1A B:HEM348 3.1 35.0 1.0 C1C B:HEM348 3.1 28.0 1.0 C1B B:HEM348 3.1 33.8 1.0 CE1 B:HIS292 3.1 34.0 1.0 CD2 B:HIS292 3.2 33.7 1.0 C4A B:HEM348 3.2 38.0 1.0 CHD B:HEM348 3.4 34.0 1.0 CHA B:HEM348 3.4 35.5 1.0 CHC B:HEM348 3.4 28.2 1.0 CHB B:HEM348 3.6 35.8 1.0 C3D B:HEM348 4.2 37.6 1.0 C2D B:HEM348 4.2 34.7 1.0 C3B B:HEM348 4.3 34.5 1.0 ND1 B:HIS292 4.3 31.2 1.0 C2B B:HEM348 4.3 31.9 1.0 C3C B:HEM348 4.3 31.9 1.0 CG B:HIS292 4.3 30.9 1.0 C2C B:HEM348 4.3 30.3 1.0 C2A B:HEM348 4.4 39.8 1.0 C3A B:HEM348 4.4 37.1 1.0 NE2 B:HIS263 4.4 36.1 1.0 CG2 B:VAL267 4.9 29.3 1.0

Iron binding site 3 out of 4 in the The X-Ray Structure Determination of Bovine Carbonmonoxy Hb at 2.1 A Resolution and Its Relationship to the Quaternary Structure of Other Hb Crystal Forms


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The X-Ray Structure Determination of Bovine Carbonmonoxy Hb at 2.1 A Resolution and Its Relationship to the Quaternary Structure of Other Hb Crystal Forms within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe543 b:30.0 occ:1.00 FE C:HEM543 0.0 30.0 1.0 C C:CMO542 1.8 27.0 1.0 ND C:HEM543 1.9 34.8 1.0 NA C:HEM543 1.9 32.9 1.0 NE2 C:HIS487 2.1 29.1 1.0 NB C:HEM543 2.1 33.4 1.0 NC C:HEM543 2.1 34.8 1.0 C1A C:HEM543 2.9 37.2 1.0 O C:CMO542 2.9 31.6 1.0 C4D C:HEM543 2.9 34.1 1.0 C4A C:HEM543 3.1 30.1 1.0 C1D C:HEM543 3.1 34.3 1.0 CD2 C:HIS487 3.1 24.2 1.0 C4B C:HEM543 3.1 30.8 1.0 CE1 C:HIS487 3.1 20.3 1.0 C1C C:HEM543 3.1 32.2 1.0 C1B C:HEM543 3.2 30.4 1.0 C4C C:HEM543 3.2 32.5 1.0 CHA C:HEM543 3.2 36.5 1.0 CHC C:HEM543 3.4 32.4 1.0 CHB C:HEM543 3.5 32.8 1.0 CHD C:HEM543 3.5 31.6 1.0 C3D C:HEM543 4.2 35.7 1.0 C2A C:HEM543 4.2 37.4 1.0 ND1 C:HIS487 4.3 20.6 1.0 C3A C:HEM543 4.3 35.3 1.0 CG C:HIS487 4.3 21.2 1.0 C2D C:HEM543 4.3 34.8 1.0 NE2 C:HIS458 4.3 25.0 1.0 C3B C:HEM543 4.4 31.8 1.0 C2B C:HEM543 4.4 34.9 1.0 C2C C:HEM543 4.4 32.2 1.0 C3C C:HEM543 4.4 33.6 1.0 CE1 C:HIS458 4.9 28.1 1.0

Iron binding site 4 out of 4 in the The X-Ray Structure Determination of Bovine Carbonmonoxy Hb at 2.1 A Resolution and Its Relationship to the Quaternary Structure of Other Hb Crystal Forms


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The X-Ray Structure Determination of Bovine Carbonmonoxy Hb at 2.1 A Resolution and Its Relationship to the Quaternary Structure of Other Hb Crystal Forms within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe748 b:30.6 occ:1.00 FE D:HEM748 0.0 30.6 1.0 C D:CMO747 1.7 32.9 1.0 NA D:HEM748 2.0 36.5 1.0 NC D:HEM748 2.0 29.0 1.0 ND D:HEM748 2.0 37.1 1.0 NE2 D:HIS692 2.1 30.8 1.0 NB D:HEM748 2.1 32.6 1.0 O D:CMO747 2.8 40.6 1.0 C4C D:HEM748 3.0 29.1 1.0 C4A D:HEM748 3.0 37.3 1.0 C1C D:HEM748 3.0 24.6 1.0 C1A D:HEM748 3.1 34.1 1.0 CE1 D:HIS692 3.1 29.3 1.0 C1D D:HEM748 3.1 35.0 1.0 CD2 D:HIS692 3.1 26.4 1.0 C4D D:HEM748 3.1 37.0 1.0 C1B D:HEM748 3.1 33.0 1.0 C4B D:HEM748 3.1 29.7 1.0 CHD D:HEM748 3.4 36.3 1.0 CHC D:HEM748 3.4 25.9 1.0 CHB D:HEM748 3.4 37.0 1.0 CHA D:HEM748 3.5 36.2 1.0 ND1 D:HIS692 4.2 30.6 1.0 C3C D:HEM748 4.2 26.8 1.0 CG D:HIS692 4.2 33.4 1.0 C2C D:HEM748 4.2 26.6 1.0 C2A D:HEM748 4.3 36.9 1.0 NE2 D:HIS663 4.3 36.4 1.0 C2D D:HEM748 4.3 34.9 1.0 C3A D:HEM748 4.3 37.2 1.0 C3D D:HEM748 4.3 38.0 1.0 C2B D:HEM748 4.4 34.7 1.0 C3B D:HEM748 4.4 30.2 1.0 CG2 D:VAL667 4.9 26.2 1.0

M.K.Safo, D.J.Abraham. The X-Ray Structure Determination of Bovine Carbonmonoxy Hemoglobin at 2.1 A Resoultion and Its Relationship to the Quaternary Structures of Other Hemoglobin Crystal Froms. Protein Sci. V. 10 1091 2001.
ISSN: ISSN 0961-8368
PubMed: 11369847
DOI: 10.1110/PS.48301