Iron in PDB 1yvq: The Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5)

The structure of The Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5), PDB code: 1yvq was solved by V.N.Malashkevich, T.C.Balazs, 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)	23.38 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.621, 96.018, 101.368, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 23

The binding sites of Iron atom in the The Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5) (pdb code 1yvq). 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 Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5), PDB code: 1yvq:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the The Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:18.9 occ:1.00 FE A:HEM701 0.0 18.9 1.0 C A:CMO801 1.8 16.1 1.0 ND A:HEM701 2.0 16.7 1.0 NC A:HEM701 2.0 16.1 1.0 NB A:HEM701 2.1 17.3 1.0 NA A:HEM701 2.1 16.6 1.0 NE2 A:HIS87 2.1 15.0 1.0 O A:CMO801 2.9 25.1 1.0 C1D A:HEM701 3.0 17.3 1.0 C4C A:HEM701 3.0 17.4 1.0 C4D A:HEM701 3.1 18.0 1.0 C1C A:HEM701 3.1 15.9 1.0 C4B A:HEM701 3.1 16.8 1.0 C1A A:HEM701 3.1 18.1 1.0 C1B A:HEM701 3.1 17.5 1.0 CE1 A:HIS87 3.1 18.3 1.0 C4A A:HEM701 3.1 18.0 1.0 CD2 A:HIS87 3.1 16.4 1.0 CHD A:HEM701 3.4 15.9 1.0 CHC A:HEM701 3.4 13.9 1.0 CHA A:HEM701 3.4 16.9 1.0 CHB A:HEM701 3.5 15.4 1.0 ND1 A:HIS87 4.2 16.3 1.0 CG A:HIS87 4.3 15.9 1.0 C2D A:HEM701 4.3 17.4 1.0 NE2 A:HIS58 4.3 23.9 1.0 C3D A:HEM701 4.3 16.9 1.0 C3C A:HEM701 4.3 16.8 1.0 C2C A:HEM701 4.3 15.2 1.0 C3B A:HEM701 4.3 16.8 1.0 C2A A:HEM701 4.3 19.4 1.0 C2B A:HEM701 4.3 15.7 1.0 C3A A:HEM701 4.3 18.7 1.0 CG2 A:VAL62 4.9 18.5 1.0

Iron binding site 2 out of 4 in the The Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe702 b:19.6 occ:1.00 FE B:HEM702 0.0 19.6 1.0 C B:CMO802 1.8 16.4 1.0 NA B:HEM702 2.0 18.4 1.0 ND B:HEM702 2.1 19.3 1.0 NB B:HEM702 2.1 18.7 1.0 NC B:HEM702 2.1 17.8 1.0 NE2 B:HIS92 2.2 15.3 1.0 O B:CMO802 2.9 22.3 1.0 C4A B:HEM702 3.1 17.8 1.0 C4B B:HEM702 3.1 17.7 1.0 C1A B:HEM702 3.1 19.6 1.0 C1C B:HEM702 3.1 18.0 1.0 C4D B:HEM702 3.1 18.2 1.0 C1B B:HEM702 3.1 16.6 1.0 C1D B:HEM702 3.1 18.2 1.0 C4C B:HEM702 3.1 17.8 1.0 CD2 B:HIS92 3.1 17.2 1.0 CE1 B:HIS92 3.2 19.7 1.0 CHC B:HEM702 3.4 17.5 1.0 CHB B:HEM702 3.4 17.2 1.0 CHA B:HEM702 3.4 18.1 1.0 CHD B:HEM702 3.5 18.6 1.0 CG B:HIS92 4.3 17.3 1.0 ND1 B:HIS92 4.3 17.3 1.0 C3A B:HEM702 4.3 17.6 1.0 C3D B:HEM702 4.3 20.3 1.0 C2D B:HEM702 4.3 19.1 1.0 C2A B:HEM702 4.3 18.0 1.0 C2B B:HEM702 4.3 18.0 1.0 C3B B:HEM702 4.3 18.4 1.0 C2C B:HEM702 4.3 18.0 1.0 C3C B:HEM702 4.3 19.5 1.0 NE2 B:HIS63 4.4 21.9 1.0 CG2 B:VAL67 4.8 16.5 1.0

Iron binding site 3 out of 4 in the The Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe703 b:18.3 occ:1.00 FE C:HEM703 0.0 18.3 1.0 C C:CMO803 1.8 18.6 1.0 ND C:HEM703 2.0 18.3 1.0 NA C:HEM703 2.0 16.2 1.0 NC C:HEM703 2.1 17.4 1.0 NB C:HEM703 2.1 17.5 1.0 NE2 C:HIS87 2.2 17.1 1.0 O C:CMO803 2.9 22.2 1.0 C4D C:HEM703 3.0 18.1 1.0 C1A C:HEM703 3.0 18.9 1.0 C1C C:HEM703 3.1 15.1 1.0 C1D C:HEM703 3.1 18.5 1.0 C4A C:HEM703 3.1 15.8 1.0 C4B C:HEM703 3.1 15.2 1.0 C4C C:HEM703 3.1 14.9 1.0 C1B C:HEM703 3.1 17.9 1.0 CD2 C:HIS87 3.1 16.9 1.0 CE1 C:HIS87 3.2 17.6 1.0 CHA C:HEM703 3.4 16.1 1.0 CHC C:HEM703 3.4 16.0 1.0 CHD C:HEM703 3.5 15.6 1.0 CHB C:HEM703 3.5 16.6 1.0 ND1 C:HIS87 4.3 16.1 1.0 C3D C:HEM703 4.3 18.9 1.0 C2D C:HEM703 4.3 17.8 1.0 CG C:HIS87 4.3 17.8 1.0 C2A C:HEM703 4.3 19.9 1.0 C2C C:HEM703 4.3 14.8 1.0 C3C C:HEM703 4.3 14.7 1.0 C3B C:HEM703 4.3 16.4 1.0 C3A C:HEM703 4.3 16.5 1.0 C2B C:HEM703 4.3 16.3 1.0 NE2 C:HIS58 4.4 23.2 1.0 CG2 C:VAL62 4.9 15.5 1.0

Iron binding site 4 out of 4 in the The Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe704 b:25.0 occ:1.00 FE D:HEM704 0.0 25.0 1.0 C D:CMO804 1.8 19.6 1.0 ND D:HEM704 2.0 24.8 1.0 NA D:HEM704 2.0 23.3 1.0 NB D:HEM704 2.1 23.4 1.0 NC D:HEM704 2.1 23.9 1.0 NE2 D:HIS92 2.2 22.4 1.0 O D:CMO804 2.8 23.1 1.0 C1D D:HEM704 3.0 25.3 1.0 C4D D:HEM704 3.0 26.7 1.0 C1A D:HEM704 3.1 24.7 1.0 C4A D:HEM704 3.1 22.8 1.0 CD2 D:HIS92 3.1 25.8 1.0 C4C D:HEM704 3.1 23.2 1.0 C1B D:HEM704 3.1 23.7 1.0 C4B D:HEM704 3.1 23.4 1.0 C1C D:HEM704 3.1 23.7 1.0 CE1 D:HIS92 3.3 25.6 1.0 CHA D:HEM704 3.4 24.2 1.0 CHD D:HEM704 3.4 23.7 1.0 CHB D:HEM704 3.4 23.3 1.0 CHC D:HEM704 3.4 23.8 1.0 C2D D:HEM704 4.3 26.1 1.0 CG D:HIS92 4.3 25.7 1.0 C3D D:HEM704 4.3 26.5 1.0 C2A D:HEM704 4.3 25.0 1.0 C3A D:HEM704 4.3 23.5 1.0 ND1 D:HIS92 4.3 23.2 1.0 NE2 D:HIS63 4.3 26.9 1.0 C3B D:HEM704 4.3 22.1 1.0 C2B D:HEM704 4.3 23.3 1.0 C3C D:HEM704 4.3 24.2 1.0 C2C D:HEM704 4.4 24.3 1.0 CG2 D:VAL67 4.9 25.8 1.0

V.N.Malashkevich, T.C.Balazs, S.C.Almo, R.E.Hirsch. Crystal Structures of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5) To Be Published.