Iron in PDB 1yff: Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal

The structure of Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal, PDB code: 1yff was solved by L.Patskovska, Y.Patskovsky, R.E.Hirsch, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.40
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	80.320, 80.320, 179.260, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 25

The binding sites of Iron atom in the Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal (pdb code 1yff). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal, PDB code: 1yff:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:18.5 occ:1.00 FE A:HEM142 0.0 18.5 1.0 C A:CMO143 1.8 11.0 1.0 NC A:HEM142 1.9 15.9 1.0 ND A:HEM142 2.0 23.1 1.0 NB A:HEM142 2.0 23.7 1.0 NA A:HEM142 2.0 25.5 1.0 NE2 A:HIS87 2.1 15.4 1.0 O A:CMO143 2.9 18.7 1.0 C1C A:HEM142 3.0 17.1 1.0 C4C A:HEM142 3.0 20.2 1.0 C1D A:HEM142 3.0 17.4 1.0 C1B A:HEM142 3.0 20.6 1.0 C4B A:HEM142 3.0 21.9 1.0 C4A A:HEM142 3.0 22.6 1.0 C4D A:HEM142 3.0 21.5 1.0 C1A A:HEM142 3.0 22.1 1.0 CE1 A:HIS87 3.0 13.5 1.0 CD2 A:HIS87 3.1 16.1 1.0 CHC A:HEM142 3.3 19.2 1.0 CHD A:HEM142 3.3 19.3 1.0 CHA A:HEM142 3.4 19.2 1.0 CHB A:HEM142 3.4 20.1 1.0 NE2 A:HIS58 4.2 17.7 1.0 C2C A:HEM142 4.2 16.0 1.0 C2D A:HEM142 4.2 19.5 1.0 C3C A:HEM142 4.2 16.7 1.0 CG A:HIS87 4.2 17.7 1.0 C2B A:HEM142 4.2 22.7 1.0 ND1 A:HIS87 4.2 18.3 1.0 C3A A:HEM142 4.2 26.4 1.0 C3D A:HEM142 4.3 23.0 1.0 C2A A:HEM142 4.3 27.5 1.0 C3B A:HEM142 4.3 21.1 1.0 CE1 A:HIS58 4.7 18.7 1.0 CG2 A:VAL62 5.0 16.0 1.0

Iron binding site 2 out of 8 in the Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe347 b:13.1 occ:1.00 FE B:HEM347 0.0 13.1 1.0 C B:CMO348 1.8 34.6 1.0 NC B:HEM347 1.9 15.8 1.0 ND B:HEM347 2.0 27.8 1.0 NA B:HEM347 2.0 30.6 1.0 NB B:HEM347 2.0 21.6 1.0 NE2 B:HIS92 2.0 13.1 1.0 CE1 B:HIS92 2.9 16.4 1.0 O B:CMO348 2.9 36.9 1.0 C4C B:HEM347 2.9 14.3 1.0 C1C B:HEM347 3.0 11.8 1.0 C1D B:HEM347 3.0 21.7 1.0 C4A B:HEM347 3.0 28.0 1.0 C1B B:HEM347 3.0 23.4 1.0 C1A B:HEM347 3.0 26.8 1.0 C4D B:HEM347 3.0 22.0 1.0 C4B B:HEM347 3.0 20.4 1.0 CD2 B:HIS92 3.1 10.6 1.0 CHD B:HEM347 3.3 19.5 1.0 CHB B:HEM347 3.4 25.5 1.0 CHC B:HEM347 3.4 12.7 1.0 CHA B:HEM347 3.4 24.1 1.0 ND1 B:HIS92 4.1 15.5 1.0 CG B:HIS92 4.2 14.1 1.0 C3C B:HEM347 4.2 13.3 1.0 C2C B:HEM347 4.2 11.0 1.0 C2D B:HEM347 4.2 21.8 1.0 C3A B:HEM347 4.3 31.0 1.0 C2B B:HEM347 4.3 25.1 1.0 C2A B:HEM347 4.3 32.3 1.0 C3D B:HEM347 4.3 24.6 1.0 C3B B:HEM347 4.3 23.4 1.0 NE2 B:HIS63 4.4 19.0 1.0

Iron binding site 3 out of 8 in the Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:25.8 occ:1.00 FE C:HEM142 0.0 25.8 1.0 C C:CMO143 1.8 25.0 1.0 NC C:HEM142 1.9 14.1 1.0 NB C:HEM142 2.0 27.8 1.0 ND C:HEM142 2.0 25.6 1.0 NA C:HEM142 2.0 31.0 1.0 NE2 C:HIS87 2.1 8.4 1.0 O C:CMO143 2.9 29.1 1.0 C1C C:HEM142 3.0 16.0 1.0 CE1 C:HIS87 3.0 11.3 1.0 C4C C:HEM142 3.0 16.7 1.0 C4B C:HEM142 3.0 25.2 1.0 C1D C:HEM142 3.0 25.3 1.0 C1B C:HEM142 3.0 28.4 1.0 C4A C:HEM142 3.0 35.9 1.0 C4D C:HEM142 3.0 28.9 1.0 C1A C:HEM142 3.0 33.6 1.0 CD2 C:HIS87 3.1 11.9 1.0 CHC C:HEM142 3.3 19.6 1.0 CHD C:HEM142 3.4 24.2 1.0 CHB C:HEM142 3.4 31.7 1.0 CHA C:HEM142 3.4 30.6 1.0 C2C C:HEM142 4.2 14.4 1.0 ND1 C:HIS87 4.2 13.0 1.0 NE2 C:HIS58 4.2 32.4 1.0 CG C:HIS87 4.2 12.0 1.0 C2D C:HEM142 4.2 27.4 1.0 C3C C:HEM142 4.2 12.0 1.0 C2B C:HEM142 4.2 24.5 1.0 C3D C:HEM142 4.2 29.6 1.0 C3B C:HEM142 4.3 26.1 1.0 C3A C:HEM142 4.3 37.6 1.0 C2A C:HEM142 4.3 36.1 1.0 CG2 C:VAL62 4.8 27.7 1.0 CE1 C:HIS58 4.8 32.3 1.0

Iron binding site 4 out of 8 in the Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe347 b:43.2 occ:1.00 FE D:HEM347 0.0 43.2 1.0 C D:CMO348 1.8 35.0 1.0 NC D:HEM347 1.9 36.8 1.0 ND D:HEM347 2.0 39.2 1.0 NA D:HEM347 2.0 43.3 1.0 NB D:HEM347 2.0 31.1 1.0 NE2 D:HIS92 2.1 45.2 1.0 O D:CMO348 2.9 37.2 1.0 C4C D:HEM347 3.0 33.8 1.0 C1D D:HEM347 3.0 39.5 1.0 C1C D:HEM347 3.0 32.7 1.0 C4A D:HEM347 3.0 40.5 1.0 CE1 D:HIS92 3.0 45.4 1.0 C1B D:HEM347 3.0 33.7 1.0 C1A D:HEM347 3.0 40.3 1.0 C4D D:HEM347 3.0 42.1 1.0 C4B D:HEM347 3.0 34.6 1.0 CD2 D:HIS92 3.1 47.5 1.0 CHD D:HEM347 3.3 37.5 1.0 CHB D:HEM347 3.4 36.8 1.0 CHC D:HEM347 3.4 33.0 1.0 CHA D:HEM347 3.4 40.7 1.0 ND1 D:HIS92 4.2 47.8 1.0 CG D:HIS92 4.2 46.0 1.0 C2C D:HEM347 4.2 33.1 1.0 C3C D:HEM347 4.2 32.0 1.0 C2D D:HEM347 4.2 41.1 1.0 C2B D:HEM347 4.2 32.6 1.0 C3A D:HEM347 4.2 38.3 1.0 C2A D:HEM347 4.3 42.9 1.0 C3D D:HEM347 4.3 42.5 1.0 C3B D:HEM347 4.3 34.3 1.0 NE2 D:HIS63 4.3 47.5 1.0 CG2 D:VAL67 4.9 31.4 1.0

Iron binding site 5 out of 8 in the Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe142 b:11.7 occ:1.00 FE E:HEM142 0.0 11.7 1.0 C E:CMO143 1.8 16.3 1.0 NC E:HEM142 1.9 17.1 1.0 NA E:HEM142 1.9 19.8 1.0 ND E:HEM142 2.0 16.5 1.0 NB E:HEM142 2.0 8.8 1.0 NE2 E:HIS87 2.1 13.8 1.0 O E:CMO143 2.9 20.8 1.0 C1C E:HEM142 2.9 12.1 1.0 CE1 E:HIS87 3.0 13.5 1.0 C4C E:HEM142 3.0 14.5 1.0 C1D E:HEM142 3.0 11.9 1.0 C4A E:HEM142 3.0 19.7 1.0 C4D E:HEM142 3.0 15.0 1.0 C1B E:HEM142 3.0 9.6 1.0 C1A E:HEM142 3.0 19.5 1.0 C4B E:HEM142 3.0 5.0 1.0 CD2 E:HIS87 3.1 12.3 1.0 CHC E:HEM142 3.3 7.7 1.0 CHD E:HEM142 3.3 10.2 1.0 CHB E:HEM142 3.4 10.8 1.0 CHA E:HEM142 3.4 16.4 1.0 ND1 E:HIS87 4.1 18.7 1.0 C2C E:HEM142 4.2 13.7 1.0 CG E:HIS87 4.2 17.3 1.0 C3C E:HEM142 4.2 17.0 1.0 C2D E:HEM142 4.2 13.0 1.0 NE2 E:HIS58 4.2 21.5 1.0 C3A E:HEM142 4.2 21.9 1.0 C3D E:HEM142 4.2 17.0 1.0 C2B E:HEM142 4.2 4.7 1.0 C2A E:HEM142 4.3 22.8 1.0 C3B E:HEM142 4.3 6.4 1.0 CG2 E:VAL62 4.8 11.8 1.0 CE1 E:HIS58 5.0 24.7 1.0

Iron binding site 6 out of 8 in the Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe347 b:37.0 occ:1.00 FE F:HEM347 0.0 37.0 1.0 C F:CMO348 1.8 27.2 1.0 NC F:HEM347 1.9 28.3 1.0 NA F:HEM347 2.0 40.2 1.0 ND F:HEM347 2.0 37.2 1.0 NB F:HEM347 2.0 29.8 1.0 NE2 F:HIS92 2.1 32.8 1.0 O F:CMO348 2.9 30.5 1.0 C4C F:HEM347 3.0 25.2 1.0 C1C F:HEM347 3.0 25.0 1.0 C1D F:HEM347 3.0 36.2 1.0 CE1 F:HIS92 3.0 36.2 1.0 C4A F:HEM347 3.0 38.7 1.0 C1A F:HEM347 3.0 41.4 1.0 C1B F:HEM347 3.0 29.1 1.0 C4D F:HEM347 3.0 39.6 1.0 CD2 F:HIS92 3.0 36.2 1.0 C4B F:HEM347 3.0 28.0 1.0 CHD F:HEM347 3.3 31.6 1.0 CHA F:HEM347 3.4 41.4 1.0 CHC F:HEM347 3.4 23.2 1.0 CHB F:HEM347 3.4 33.6 1.0 CG F:HIS92 4.2 37.8 1.0 ND1 F:HIS92 4.2 36.0 1.0 C2C F:HEM347 4.2 23.2 1.0 C3C F:HEM347 4.2 23.6 1.0 C2D F:HEM347 4.2 41.0 1.0 C3A F:HEM347 4.2 43.0 1.0 C2A F:HEM347 4.3 46.1 1.0 C2B F:HEM347 4.3 27.4 1.0 C3D F:HEM347 4.3 42.5 1.0 C3B F:HEM347 4.3 25.5 1.0 NE2 F:HIS63 4.4 37.9 1.0

Iron binding site 7 out of 8 in the Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe142 b:13.2 occ:1.00 FE G:HEM142 0.0 13.2 1.0 C G:CMO143 1.8 13.9 1.0 NC G:HEM142 1.9 12.1 1.0 NB G:HEM142 1.9 3.6 1.0 ND G:HEM142 2.0 8.6 1.0 NA G:HEM142 2.0 19.6 1.0 NE2 G:HIS87 2.1 5.1 1.0 O G:CMO143 2.9 18.9 1.0 C1C G:HEM142 3.0 13.1 1.0 C1B G:HEM142 3.0 12.8 1.0 C4A G:HEM142 3.0 18.4 1.0 C1D G:HEM142 3.0 10.9 1.0 C4C G:HEM142 3.0 12.7 1.0 C4B G:HEM142 3.0 5.2 1.0 C4D G:HEM142 3.0 16.1 1.0 C1A G:HEM142 3.0 18.1 1.0 CE1 G:HIS87 3.0 13.3 1.0 CD2 G:HIS87 3.1 13.4 1.0 CHC G:HEM142 3.3 11.6 1.0 CHB G:HEM142 3.3 14.8 1.0 CHD G:HEM142 3.4 14.2 1.0 CHA G:HEM142 3.4 16.6 1.0 C2C G:HEM142 4.2 14.8 1.0 ND1 G:HIS87 4.2 13.3 1.0 C3A G:HEM142 4.2 20.9 1.0 C2B G:HEM142 4.2 12.5 1.0 CG G:HIS87 4.2 11.4 1.0 C2D G:HEM142 4.2 14.5 1.0 C3C G:HEM142 4.2 13.9 1.0 C3B G:HEM142 4.3 6.8 1.0 C2A G:HEM142 4.3 22.5 1.0 C3D G:HEM142 4.3 14.6 1.0 NE2 G:HIS58 4.3 14.9 1.0 CG2 G:VAL62 4.9 11.3 1.0

Iron binding site 8 out of 8 in the Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of Human Carbonmonoxyhemoglobin C (Beta E6K): Two Quaternary States (R2 and R3) in One Crystal within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe347 b:40.4 occ:1.00 FE H:HEM347 0.0 40.4 1.0 C H:CMO348 1.8 31.7 1.0 NC H:HEM347 1.9 36.9 1.0 NA H:HEM347 2.0 47.7 1.0 ND H:HEM347 2.0 44.4 1.0 NB H:HEM347 2.0 38.6 1.0 NE2 H:HIS92 2.0 27.2 1.0 O H:CMO348 2.9 34.4 1.0 C4C H:HEM347 3.0 37.0 1.0 C1C H:HEM347 3.0 34.5 1.0 CE1 H:HIS92 3.0 27.9 1.0 C1D H:HEM347 3.0 41.0 1.0 C4A H:HEM347 3.0 46.4 1.0 C1B H:HEM347 3.0 39.0 1.0 CD2 H:HIS92 3.0 30.6 1.0 C1A H:HEM347 3.0 48.6 1.0 C4B H:HEM347 3.0 35.9 1.0 C4D H:HEM347 3.0 45.1 1.0 CHD H:HEM347 3.3 39.1 1.0 CHB H:HEM347 3.4 43.5 1.0 CHC H:HEM347 3.4 35.9 1.0 CHA H:HEM347 3.4 45.7 1.0 CG H:HIS92 4.1 32.4 1.0 ND1 H:HIS92 4.2 28.7 1.0 C2C H:HEM347 4.2 34.4 1.0 C3C H:HEM347 4.2 34.4 1.0 C2D H:HEM347 4.2 45.1 1.0 C3A H:HEM347 4.2 48.1 1.0 C2B H:HEM347 4.3 39.6 1.0 C2A H:HEM347 4.3 51.4 1.0 C3B H:HEM347 4.3 37.0 1.0 C3D H:HEM347 4.3 46.1 1.0 NE2 H:HIS63 4.4 36.3 1.0 CE1 H:HIS63 5.0 36.5 1.0

L.Patskovska, Y.Patskovsky, R.E.Hirsch, S.C.Almo. Mechanism of Quaternary Transitions in Human Liganded Hemoglobin To Be Published.