Iron in PDB 2yrs: Human Hemoglobin D Los Angeles: Crystal Structure

The structure of Human Hemoglobin D Los Angeles: Crystal Structure, PDB code: 2yrs was solved by C.D.Poy, F.Moreno, C.R.Bonini-Domingos, W.Filgueira De Azevedojr., G.O.Bonilla-Rodriguez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.42 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	82.702, 62.759, 110.216, 90.00, 90.05, 90.00
R / Rfree (%)	16 / 25.2

The binding sites of Iron atom in the Human Hemoglobin D Los Angeles: Crystal Structure (pdb code 2yrs). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Human Hemoglobin D Los Angeles: Crystal Structure, PDB code: 2yrs:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Human Hemoglobin D Los Angeles: Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Hemoglobin D Los Angeles: Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:28.8 occ:1.00 FE A:HEM142 0.0 28.8 1.0 NB A:HEM142 2.0 25.9 1.0 ND A:HEM142 2.1 30.7 1.0 NA A:HEM142 2.1 31.1 1.0 NE2 A:HIS87 2.2 24.3 1.0 NC A:HEM142 2.3 29.1 1.0 CE1 A:HIS87 3.0 21.9 1.0 C4D A:HEM142 3.0 30.5 1.0 C4B A:HEM142 3.0 21.6 1.0 C1A A:HEM142 3.1 27.3 1.0 C1B A:HEM142 3.1 25.9 1.0 C4A A:HEM142 3.2 30.3 1.0 C1C A:HEM142 3.2 26.6 1.0 C1D A:HEM142 3.2 29.9 1.0 CHA A:HEM142 3.3 28.5 1.0 C4C A:HEM142 3.3 28.1 1.0 CD2 A:HIS87 3.4 19.5 1.0 O A:HOH149 3.4 28.5 1.0 CHC A:HEM142 3.4 23.5 1.0 CHB A:HEM142 3.5 27.6 1.0 CHD A:HEM142 3.6 28.5 1.0 ND1 A:HIS87 4.2 22.4 1.0 C3B A:HEM142 4.3 25.8 1.0 C3D A:HEM142 4.3 32.7 1.0 C2B A:HEM142 4.3 25.0 1.0 C2A A:HEM142 4.3 31.9 1.0 CD1 A:LEU91 4.3 24.8 1.0 C3A A:HEM142 4.4 32.3 1.0 C2D A:HEM142 4.4 29.5 1.0 CG A:HIS87 4.4 21.2 1.0 NE2 A:HIS58 4.4 40.8 1.0 CE1 A:HIS58 4.4 39.4 1.0 C2C A:HEM142 4.4 28.5 1.0 C3C A:HEM142 4.5 24.6 1.0 CG2 A:VAL62 5.0 26.9 1.0

Iron binding site 2 out of 8 in the Human Hemoglobin D Los Angeles: Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Hemoglobin D Los Angeles: Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:15.8 occ:1.00 FE B:HEM148 0.0 15.8 1.0 NB B:HEM148 1.9 12.1 1.0 NA B:HEM148 2.0 18.2 1.0 NE2 B:HIS93 2.1 11.1 1.0 ND B:HEM148 2.1 20.5 1.0 NC B:HEM148 2.1 15.4 1.0 CE1 B:HIS93 2.9 15.2 1.0 C1B B:HEM148 2.9 13.7 1.0 C4B B:HEM148 2.9 9.5 1.0 C4A B:HEM148 3.0 17.2 1.0 C1D B:HEM148 3.0 18.1 1.0 C4C B:HEM148 3.0 13.1 1.0 C1A B:HEM148 3.1 16.3 1.0 C1C B:HEM148 3.1 12.7 1.0 C4D B:HEM148 3.1 18.6 1.0 CD2 B:HIS93 3.2 11.2 1.0 CHD B:HEM148 3.3 14.2 1.0 CHB B:HEM148 3.4 14.9 1.0 CHC B:HEM148 3.4 12.4 1.0 CHA B:HEM148 3.5 15.3 1.0 CG2 B:VAL68 4.0 18.5 1.0 ND1 B:HIS93 4.1 13.2 1.0 C3B B:HEM148 4.1 9.8 1.0 C2B B:HEM148 4.1 9.7 1.0 CG B:HIS93 4.2 14.9 1.0 NE2 B:HIS64 4.3 28.6 1.0 C3A B:HEM148 4.3 19.1 1.0 C2A B:HEM148 4.3 20.5 1.0 C3C B:HEM148 4.3 11.3 1.0 C2D B:HEM148 4.3 17.2 1.0 C2C B:HEM148 4.3 10.8 1.0 CE1 B:HIS64 4.3 26.4 1.0 C3D B:HEM148 4.3 19.7 1.0 CD1 B:LEU97 4.7 11.6 1.0

Iron binding site 3 out of 8 in the Human Hemoglobin D Los Angeles: Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Human Hemoglobin D Los Angeles: Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:18.1 occ:1.00 FE C:HEM142 0.0 18.1 1.0 ND C:HEM142 2.0 11.6 1.0 NB C:HEM142 2.0 15.1 1.0 NA C:HEM142 2.2 15.5 1.0 NC C:HEM142 2.2 12.3 1.0 NE2 C:HIS87 2.3 13.7 1.0 C4B C:HEM142 2.9 12.8 1.0 C4D C:HEM142 3.0 14.2 1.0 C1D C:HEM142 3.1 14.6 1.0 C1B C:HEM142 3.1 14.7 1.0 C1A C:HEM142 3.1 13.1 1.0 C1C C:HEM142 3.1 9.5 1.0 CE1 C:HIS87 3.2 11.4 1.0 C4A C:HEM142 3.2 15.4 1.0 O C:HOH151 3.2 25.6 1.0 C4C C:HEM142 3.2 12.9 1.0 CD2 C:HIS87 3.3 10.6 1.0 CHC C:HEM142 3.3 12.0 1.0 CHA C:HEM142 3.3 14.9 1.0 CHD C:HEM142 3.5 12.9 1.0 CHB C:HEM142 3.5 14.9 1.0 C3B C:HEM142 4.2 13.8 1.0 C3D C:HEM142 4.2 14.7 1.0 C2B C:HEM142 4.3 15.6 1.0 C2D C:HEM142 4.3 13.8 1.0 ND1 C:HIS87 4.3 11.7 1.0 C2A C:HEM142 4.3 18.8 1.0 CD1 C:LEU91 4.4 8.0 1.0 C3A C:HEM142 4.4 14.6 1.0 CG C:HIS87 4.4 9.6 1.0 NE2 C:HIS58 4.4 19.3 1.0 CE1 C:HIS58 4.4 18.1 1.0 C2C C:HEM142 4.4 8.9 1.0 C3C C:HEM142 4.5 8.5 1.0

Iron binding site 4 out of 8 in the Human Hemoglobin D Los Angeles: Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Human Hemoglobin D Los Angeles: Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe148 b:25.1 occ:1.00 FE D:HEM148 0.0 25.1 1.0 NC D:HEM148 2.0 27.8 1.0 ND D:HEM148 2.1 29.6 1.0 NA D:HEM148 2.1 30.9 1.0 NE2 D:HIS93 2.1 10.5 1.0 NB D:HEM148 2.2 28.9 1.0 C1C D:HEM148 3.0 23.7 1.0 C4D D:HEM148 3.0 30.4 1.0 C1A D:HEM148 3.1 30.3 1.0 C4B D:HEM148 3.1 26.2 1.0 C4C D:HEM148 3.1 26.5 1.0 CE1 D:HIS93 3.1 19.3 1.0 C1D D:HEM148 3.1 30.6 1.0 CD2 D:HIS93 3.1 16.7 1.0 C4A D:HEM148 3.2 31.7 1.0 C1B D:HEM148 3.2 27.2 1.0 CHC D:HEM148 3.4 24.0 1.0 CHA D:HEM148 3.4 29.2 1.0 CHD D:HEM148 3.5 27.3 1.0 CHB D:HEM148 3.6 29.1 1.0 NE2 D:HIS64 4.0 30.4 1.0 C2C D:HEM148 4.2 24.0 1.0 ND1 D:HIS93 4.2 16.0 1.0 CG2 D:VAL68 4.2 25.2 1.0 CG D:HIS93 4.3 15.7 1.0 C3C D:HEM148 4.3 22.2 1.0 C3D D:HEM148 4.3 33.5 1.0 C2A D:HEM148 4.3 31.1 1.0 C3B D:HEM148 4.3 29.2 1.0 C2D D:HEM148 4.4 30.6 1.0 C3A D:HEM148 4.4 29.8 1.0 C2B D:HEM148 4.4 28.7 1.0 CE1 D:HIS64 4.4 30.8 1.0

Iron binding site 5 out of 8 in the Human Hemoglobin D Los Angeles: Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Human Hemoglobin D Los Angeles: Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ I:Fe142 b:16.8 occ:1.00 FE I:HEM142 0.0 16.8 1.0 NB I:HEM142 2.0 12.3 1.0 ND I:HEM142 2.1 13.6 1.0 NA I:HEM142 2.2 15.3 1.0 NC I:HEM142 2.2 11.9 1.0 NE2 I:HIS87 2.2 16.4 1.0 CE1 I:HIS87 2.9 12.9 1.0 C4B I:HEM142 3.0 11.8 1.0 C1B I:HEM142 3.0 11.8 1.0 C4D I:HEM142 3.1 14.0 1.0 C1A I:HEM142 3.1 12.5 1.0 C1D I:HEM142 3.1 16.3 1.0 C4C I:HEM142 3.1 11.3 1.0 C1C I:HEM142 3.1 10.7 1.0 C4A I:HEM142 3.2 15.3 1.0 O I:HOH145 3.2 19.9 1.0 CHA I:HEM142 3.4 14.1 1.0 CD2 I:HIS87 3.4 11.7 1.0 CHC I:HEM142 3.4 12.2 1.0 CHB I:HEM142 3.5 14.6 1.0 CHD I:HEM142 3.5 14.8 1.0 ND1 I:HIS87 4.1 13.5 1.0 C3B I:HEM142 4.2 11.6 1.0 C2B I:HEM142 4.2 12.3 1.0 C3D I:HEM142 4.3 16.4 1.0 C2A I:HEM142 4.3 14.5 1.0 C2D I:HEM142 4.3 13.8 1.0 C3C I:HEM142 4.4 11.7 1.0 C2C I:HEM142 4.4 10.7 1.0 C3A I:HEM142 4.4 14.5 1.0 CG I:HIS87 4.4 11.4 1.0 CD1 I:LEU91 4.4 9.2 1.0 NE2 I:HIS58 4.5 18.7 1.0 CE1 I:HIS58 4.6 17.7 1.0

Iron binding site 6 out of 8 in the Human Hemoglobin D Los Angeles: Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Human Hemoglobin D Los Angeles: Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ K:Fe148 b:24.7 occ:1.00 FE K:HEM148 0.0 24.7 1.0 NA K:HEM148 2.0 27.7 1.0 NC K:HEM148 2.0 26.7 1.0 NB K:HEM148 2.1 26.5 1.0 ND K:HEM148 2.1 27.4 1.0 NE2 K:HIS93 2.2 17.9 1.0 CE1 K:HIS93 3.0 19.0 1.0 C1A K:HEM148 3.0 27.8 1.0 C4C K:HEM148 3.0 27.4 1.0 C4A K:HEM148 3.1 31.0 1.0 C4D K:HEM148 3.1 27.1 1.0 C1B K:HEM148 3.1 26.7 1.0 C1C K:HEM148 3.1 22.9 1.0 C4B K:HEM148 3.1 24.4 1.0 C1D K:HEM148 3.2 28.1 1.0 CD2 K:HIS93 3.3 22.0 1.0 CHA K:HEM148 3.4 27.2 1.0 CHB K:HEM148 3.4 28.5 1.0 CHD K:HEM148 3.5 26.5 1.0 CHC K:HEM148 3.5 23.5 1.0 NE2 K:HIS64 4.0 30.0 1.0 CG2 K:VAL68 4.2 21.9 1.0 ND1 K:HIS93 4.2 18.1 1.0 C2A K:HEM148 4.2 31.8 1.0 C3C K:HEM148 4.3 24.1 1.0 C2C K:HEM148 4.3 25.7 1.0 C3A K:HEM148 4.3 28.6 1.0 C2B K:HEM148 4.3 27.4 1.0 C3B K:HEM148 4.3 26.6 1.0 C3D K:HEM148 4.3 30.8 1.0 CG K:HIS93 4.4 19.5 1.0 C2D K:HEM148 4.4 27.7 1.0 CE1 K:HIS64 4.5 31.8 1.0

Iron binding site 7 out of 8 in the Human Hemoglobin D Los Angeles: Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Human Hemoglobin D Los Angeles: Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ M:Fe142 b:27.0 occ:1.00 FE M:HEM142 0.0 27.0 1.0 NB M:HEM142 2.1 22.9 1.0 ND M:HEM142 2.2 26.9 1.0 NA M:HEM142 2.2 27.9 1.0 NE2 M:HIS87 2.2 21.8 1.0 NC M:HEM142 2.2 26.4 1.0 CE1 M:HIS87 3.1 21.6 1.0 C4D M:HEM142 3.1 28.0 1.0 C1A M:HEM142 3.1 24.3 1.0 C1B M:HEM142 3.1 25.1 1.0 C4A M:HEM142 3.1 27.0 1.0 C4B M:HEM142 3.2 19.8 1.0 C1D M:HEM142 3.2 27.5 1.0 C1C M:HEM142 3.2 24.6 1.0 CD2 M:HIS87 3.2 18.2 1.0 C4C M:HEM142 3.2 23.8 1.0 CHA M:HEM142 3.4 24.4 1.0 CHB M:HEM142 3.5 24.7 1.0 CHC M:HEM142 3.5 22.0 1.0 CHD M:HEM142 3.6 23.4 1.0 O M:HOH151 3.8 22.4 1.0 ND1 M:HIS87 4.2 20.8 1.0 C2A M:HEM142 4.3 30.2 1.0 C2B M:HEM142 4.3 23.7 1.0 NE2 M:HIS58 4.3 27.0 1.0 C3A M:HEM142 4.3 31.5 1.0 C3D M:HEM142 4.3 29.2 1.0 CD1 M:LEU91 4.3 20.5 1.0 C3B M:HEM142 4.3 22.4 1.0 CG M:HIS87 4.3 18.3 1.0 C2D M:HEM142 4.4 26.6 1.0 C2C M:HEM142 4.4 25.8 1.0 C3C M:HEM142 4.5 22.5 1.0 CE1 M:HIS58 4.5 24.2 1.0

Iron binding site 8 out of 8 in the Human Hemoglobin D Los Angeles: Crystal Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Human Hemoglobin D Los Angeles: Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ O:Fe148 b:15.7 occ:1.00 FE O:HEM148 0.0 15.7 1.0 NB O:HEM148 2.0 12.2 1.0 NE2 O:HIS93 2.0 10.1 1.0 ND O:HEM148 2.1 18.8 1.0 NC O:HEM148 2.1 15.0 1.0 NA O:HEM148 2.1 14.4 1.0 CE1 O:HIS93 2.8 13.1 1.0 C4B O:HEM148 2.9 11.2 1.0 C1B O:HEM148 3.0 15.6 1.0 C1C O:HEM148 3.1 12.4 1.0 C1D O:HEM148 3.1 18.5 1.0 C1A O:HEM148 3.1 15.9 1.0 C4D O:HEM148 3.1 16.4 1.0 C4C O:HEM148 3.1 12.9 1.0 C4A O:HEM148 3.2 14.7 1.0 CD2 O:HIS93 3.2 10.2 1.0 CHC O:HEM148 3.4 12.7 1.0 CHD O:HEM148 3.4 14.6 1.0 CHA O:HEM148 3.5 16.3 1.0 CHB O:HEM148 3.5 14.6 1.0 NE2 O:HIS64 4.0 32.5 1.0 CG2 O:VAL68 4.0 22.2 1.0 ND1 O:HIS93 4.0 10.8 1.0 C3B O:HEM148 4.1 12.4 1.0 C2B O:HEM148 4.2 15.1 1.0 CG O:HIS93 4.2 15.2 1.0 CE1 O:HIS64 4.3 30.1 1.0 C2C O:HEM148 4.3 15.6 1.0 C3D O:HEM148 4.3 18.7 1.0 C2A O:HEM148 4.3 19.1 1.0 C2D O:HEM148 4.4 14.6 1.0 C3C O:HEM148 4.4 13.9 1.0 C3A O:HEM148 4.4 14.6 1.0 CD1 O:LEU97 4.8 8.4 1.0

C.D.Poy, F.Moreno, C.R.Bonini-Domingos, W.Filgueira De Azevedo Jr., G.O.Bonilla-Rodriguez. Human Hemoglobin D Los Angeles: Crystal Structure To Be Published.