Iron in PDB 1xq5: Met-Perch Hemoglobin at 1.9A

The structure of Met-Perch Hemoglobin at 1.9A, PDB code: 1xq5 was solved by Center For Eukaryotic Structural Genomics (Cesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.01 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.302, 84.986, 121.779, 90.00, 90.00, 90.00
R / Rfree (%)	24.3 / 29.7

The binding sites of Iron atom in the Met-Perch Hemoglobin at 1.9A (pdb code 1xq5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Met-Perch Hemoglobin at 1.9A, PDB code: 1xq5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Met-Perch Hemoglobin at 1.9A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Met-Perch Hemoglobin at 1.9A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:33.0 occ:1.00 FE A:HEM143 0.0 33.0 1.0 ND A:HEM143 1.9 36.4 1.0 NB A:HEM143 2.0 26.0 1.0 NA A:HEM143 2.0 28.6 1.0 NC A:HEM143 2.2 22.9 1.0 NE2 A:HIS88 2.3 29.7 1.0 O A:HOH378 2.3 38.5 1.0 C4D A:HEM143 3.0 38.9 1.0 C1A A:HEM143 3.0 29.1 1.0 C1B A:HEM143 3.0 23.9 1.0 C4B A:HEM143 3.0 27.7 1.0 C4A A:HEM143 3.0 24.1 1.0 C1D A:HEM143 3.0 38.9 1.0 C1C A:HEM143 3.1 26.3 1.0 C4C A:HEM143 3.2 33.4 1.0 CD2 A:HIS88 3.2 29.2 1.0 CE1 A:HIS88 3.3 31.4 1.0 CHA A:HEM143 3.4 32.3 1.0 CHB A:HEM143 3.4 28.0 1.0 CHC A:HEM143 3.4 30.9 1.0 CHD A:HEM143 3.5 30.1 1.0 CD1 A:ILE63 3.7 38.4 1.0 C3D A:HEM143 4.2 37.1 1.0 C2A A:HEM143 4.2 33.7 1.0 C2B A:HEM143 4.2 25.5 1.0 C2D A:HEM143 4.2 29.4 1.0 C3A A:HEM143 4.2 30.5 1.0 C3B A:HEM143 4.3 28.4 1.0 CE1 A:HIS59 4.3 40.5 1.0 NE2 A:HIS59 4.3 35.4 1.0 C2C A:HEM143 4.4 28.3 1.0 ND1 A:HIS88 4.4 27.4 1.0 CG A:HIS88 4.4 26.8 1.0 C3C A:HEM143 4.4 24.3 1.0 CD1 A:LEU92 5.0 45.7 1.0

Iron binding site 2 out of 4 in the Met-Perch Hemoglobin at 1.9A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Met-Perch Hemoglobin at 1.9A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:24.3 occ:1.00 FE B:HEM148 0.0 24.3 1.0 NA B:HEM148 2.0 20.7 1.0 NC B:HEM148 2.0 20.4 1.0 ND B:HEM148 2.1 20.5 1.0 O B:HOH379 2.1 38.7 1.0 NB B:HEM148 2.1 25.2 1.0 NE2 B:HIS92 2.2 21.3 1.0 C1A B:HEM148 3.0 19.7 1.0 C1C B:HEM148 3.0 25.4 1.0 C4C B:HEM148 3.0 21.4 1.0 C4A B:HEM148 3.0 19.4 1.0 CD2 B:HIS92 3.1 20.6 1.0 C4B B:HEM148 3.1 23.1 1.0 C4D B:HEM148 3.1 28.3 1.0 C1D B:HEM148 3.1 23.0 1.0 C1B B:HEM148 3.2 25.9 1.0 CE1 B:HIS92 3.2 22.8 1.0 CHC B:HEM148 3.4 24.9 1.0 CHA B:HEM148 3.4 24.4 1.0 CHD B:HEM148 3.4 22.0 1.0 CHB B:HEM148 3.5 22.2 1.0 NE2 B:HIS63 3.8 41.4 1.0 CE1 B:HIS63 4.2 44.5 1.0 CG B:HIS92 4.2 17.2 1.0 C2A B:HEM148 4.3 21.0 1.0 C3A B:HEM148 4.3 17.5 1.0 C3C B:HEM148 4.3 28.3 1.0 C2C B:HEM148 4.3 25.3 1.0 ND1 B:HIS92 4.3 17.7 1.0 C3B B:HEM148 4.3 26.7 1.0 C3D B:HEM148 4.4 28.1 1.0 C2D B:HEM148 4.4 27.0 1.0 C2B B:HEM148 4.4 22.3 1.0 CG1 B:ILE67 4.7 23.2 1.0 CD1 B:ILE67 4.9 28.4 1.0

Iron binding site 3 out of 4 in the Met-Perch Hemoglobin at 1.9A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Met-Perch Hemoglobin at 1.9A within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe143 b:27.9 occ:1.00 FE C:HEM143 0.0 27.9 1.0 NB C:HEM143 2.0 25.3 1.0 NA C:HEM143 2.0 27.1 1.0 ND C:HEM143 2.0 30.2 1.0 NC C:HEM143 2.1 23.8 1.0 O C:HOH380 2.1 30.2 1.0 NE2 C:HIS88 2.2 29.9 1.0 C4B C:HEM143 3.0 34.8 1.0 C1C C:HEM143 3.0 28.9 1.0 C1A C:HEM143 3.0 28.6 1.0 C4A C:HEM143 3.0 24.8 1.0 C4D C:HEM143 3.0 28.2 1.0 C1B C:HEM143 3.1 29.2 1.0 CE1 C:HIS88 3.1 28.6 1.0 C1D C:HEM143 3.1 31.0 1.0 C4C C:HEM143 3.1 30.4 1.0 CD2 C:HIS88 3.2 25.7 1.0 CHC C:HEM143 3.3 28.4 1.0 CHA C:HEM143 3.4 33.4 1.0 CHB C:HEM143 3.4 24.4 1.0 CHD C:HEM143 3.5 26.5 1.0 CD1 C:ILE63 4.2 28.3 1.0 C3B C:HEM143 4.2 31.2 1.0 ND1 C:HIS88 4.2 28.5 1.0 C2A C:HEM143 4.2 27.1 1.0 C3A C:HEM143 4.3 22.7 1.0 C2C C:HEM143 4.3 27.4 1.0 C2B C:HEM143 4.3 31.4 1.0 NE2 C:HIS59 4.3 31.4 1.0 CG C:HIS88 4.3 22.0 1.0 C3D C:HEM143 4.3 35.3 1.0 C3C C:HEM143 4.3 22.4 1.0 C2D C:HEM143 4.4 31.4 1.0 O C:HOH372 4.4 46.6 1.0 CE1 C:HIS59 4.5 37.8 1.0

Iron binding site 4 out of 4 in the Met-Perch Hemoglobin at 1.9A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Met-Perch Hemoglobin at 1.9A within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe148 b:26.1 occ:1.00 FE D:HEM148 0.0 26.1 1.0 NA D:HEM148 2.0 22.6 1.0 NC D:HEM148 2.1 29.4 1.0 ND D:HEM148 2.1 26.5 1.0 NB D:HEM148 2.1 20.9 1.0 NE2 D:HIS92 2.1 20.4 1.0 C4D D:HEM148 3.1 25.7 1.0 C1A D:HEM148 3.1 27.1 1.0 C4B D:HEM148 3.1 25.9 1.0 CD2 D:HIS92 3.1 20.4 1.0 C4A D:HEM148 3.1 22.8 1.0 CE1 D:HIS92 3.1 24.9 1.0 C1D D:HEM148 3.1 23.1 1.0 C4C D:HEM148 3.1 31.7 1.0 C1C D:HEM148 3.1 26.1 1.0 C1B D:HEM148 3.1 23.9 1.0 CHC D:HEM148 3.4 24.3 1.0 CHA D:HEM148 3.4 22.5 1.0 CHD D:HEM148 3.5 29.4 1.0 CHB D:HEM148 3.5 22.1 1.0 NE2 D:HIS63 4.1 43.5 1.0 ND1 D:HIS92 4.2 21.6 1.0 CG D:HIS92 4.2 17.9 1.0 C2A D:HEM148 4.3 22.3 1.0 C3B D:HEM148 4.3 21.2 1.0 C3A D:HEM148 4.3 25.1 1.0 C3D D:HEM148 4.3 24.2 1.0 C2D D:HEM148 4.3 25.1 1.0 C2B D:HEM148 4.3 19.4 1.0 C3C D:HEM148 4.3 31.7 1.0 C2C D:HEM148 4.3 27.4 1.0 CE1 D:HIS63 4.4 43.3 1.0 CG1 D:ILE67 4.5 21.6 1.0 CD1 D:ILE67 4.8 24.7 1.0

Center For Eukaryotic Structural Genomics (Cesg), Center For Eukaryotic Structural Genomics (Cesg). N/A N/A.