Iron in PDB 3hrw: Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8

The structure of Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8, PDB code: 3hrw was solved by S.S.Sundaresan, P.Ramesh, M.N.Ponnuswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.081, 65.940, 150.931, 90.00, 90.00, 90.00
R / Rfree (%)	24.3 / 30.6

The binding sites of Iron atom in the Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8 (pdb code 3hrw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8, PDB code: 3hrw:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:28.1 occ:1.00 FE A:HEM200 0.0 28.1 1.0 O A:HOH144 1.8 28.7 1.0 NC A:HEM200 2.0 28.2 1.0 NB A:HEM200 2.0 27.9 1.0 ND A:HEM200 2.0 29.7 1.0 NE2 A:HIS87 2.1 44.8 1.0 NA A:HEM200 2.1 28.0 1.0 C4C A:HEM200 3.0 28.1 1.0 CD2 A:HIS87 3.0 44.4 1.0 C1D A:HEM200 3.0 30.6 1.0 C1C A:HEM200 3.0 28.1 1.0 C1B A:HEM200 3.0 27.7 1.0 C4B A:HEM200 3.0 28.3 1.0 C4A A:HEM200 3.1 28.9 1.0 C4D A:HEM200 3.1 29.8 1.0 C1A A:HEM200 3.1 28.8 1.0 CE1 A:HIS87 3.2 44.5 1.0 CHD A:HEM200 3.3 29.2 1.0 CHB A:HEM200 3.4 28.6 1.0 CHC A:HEM200 3.4 28.1 1.0 CHA A:HEM200 3.5 29.0 1.0 CG A:HIS87 4.2 44.0 1.0 NE2 A:HIS58 4.2 29.1 1.0 C3C A:HEM200 4.2 28.6 1.0 ND1 A:HIS87 4.2 43.2 1.0 C2C A:HEM200 4.2 28.2 1.0 C2B A:HEM200 4.3 27.2 1.0 C3B A:HEM200 4.3 27.9 1.0 C3A A:HEM200 4.3 30.2 1.0 C2D A:HEM200 4.3 31.4 1.0 C2A A:HEM200 4.3 29.9 1.0 C3D A:HEM200 4.3 31.2 1.0 CE1 A:HIS58 4.5 29.2 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:34.1 occ:1.00 FE B:HEM200 0.0 34.1 1.0 NE2 B:HIS92 1.8 49.7 1.0 NC B:HEM200 1.9 33.8 1.0 NB B:HEM200 2.1 34.2 1.0 NA B:HEM200 2.1 34.6 1.0 ND B:HEM200 2.2 34.8 1.0 CE1 B:HIS92 2.7 49.2 1.0 CD2 B:HIS92 2.8 50.1 1.0 C1C B:HEM200 2.9 34.2 1.0 C4C B:HEM200 2.9 34.1 1.0 C4B B:HEM200 3.1 34.2 1.0 C4A B:HEM200 3.1 34.6 1.0 C1A B:HEM200 3.1 35.4 1.0 C1B B:HEM200 3.1 34.2 1.0 C1D B:HEM200 3.1 34.4 1.0 C4D B:HEM200 3.2 34.4 1.0 CHC B:HEM200 3.3 34.1 1.0 CHD B:HEM200 3.4 33.9 1.0 CHB B:HEM200 3.5 34.3 1.0 CHA B:HEM200 3.5 34.8 1.0 ND1 B:HIS92 3.8 49.4 1.0 CE1 B:HIS63 3.8 35.4 1.0 CG B:HIS92 3.8 50.3 1.0 NE2 B:HIS63 3.9 35.0 1.0 C2C B:HEM200 4.1 34.4 1.0 C3C B:HEM200 4.1 34.6 1.0 CG2 B:VAL67 4.2 34.0 1.0 C3A B:HEM200 4.3 35.4 1.0 C2A B:HEM200 4.3 35.9 1.0 C2B B:HEM200 4.3 34.3 1.0 C3B B:HEM200 4.3 34.1 1.0 C2D B:HEM200 4.4 33.8 1.0 C3D B:HEM200 4.4 33.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe200 b:34.9 occ:1.00 FE C:HEM200 0.0 34.9 1.0 NE2 C:HIS87 1.9 37.5 1.0 ND C:HEM200 2.0 33.7 1.0 NC C:HEM200 2.1 33.8 1.0 NB C:HEM200 2.1 32.8 1.0 NA C:HEM200 2.1 35.5 1.0 O C:HOH144 2.5 11.4 1.0 CE1 C:HIS87 2.9 36.9 1.0 CD2 C:HIS87 3.0 37.9 1.0 C4D C:HEM200 3.0 34.0 1.0 C1C C:HEM200 3.0 33.5 1.0 C4B C:HEM200 3.1 33.0 1.0 C1D C:HEM200 3.1 33.4 1.0 C1A C:HEM200 3.1 36.1 1.0 C4C C:HEM200 3.1 32.6 1.0 C4A C:HEM200 3.1 36.4 1.0 C1B C:HEM200 3.1 33.6 1.0 CHA C:HEM200 3.3 35.2 1.0 CHC C:HEM200 3.3 33.5 1.0 CHD C:HEM200 3.5 32.9 1.0 CHB C:HEM200 3.5 35.4 1.0 ND1 C:HIS87 4.0 37.2 1.0 NE2 C:HIS58 4.0 45.4 1.0 CG C:HIS87 4.1 38.9 1.0 C3D C:HEM200 4.3 33.1 1.0 C2C C:HEM200 4.3 32.3 1.0 C2D C:HEM200 4.3 33.7 1.0 C3B C:HEM200 4.3 32.9 1.0 C3C C:HEM200 4.3 31.9 1.0 C3A C:HEM200 4.3 37.2 1.0 C2A C:HEM200 4.3 37.5 1.0 C2B C:HEM200 4.3 33.2 1.0 CE1 C:HIS58 4.5 45.1 1.0 CD2 C:LEU91 5.0 33.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe200 b:25.4 occ:1.00 FE D:HEM200 0.0 25.4 1.0 NA D:HEM200 2.0 23.6 1.0 NC D:HEM200 2.1 22.4 1.0 NB D:HEM200 2.1 23.9 1.0 ND D:HEM200 2.1 23.9 1.0 NE2 D:HIS92 2.2 37.0 1.0 O D:HOH147 2.6 13.8 1.0 CE1 D:HIS92 2.9 36.9 1.0 C4A D:HEM200 3.0 23.5 1.0 C1B D:HEM200 3.0 24.5 1.0 C4C D:HEM200 3.0 21.1 1.0 C1D D:HEM200 3.1 23.1 1.0 C1A D:HEM200 3.1 23.8 1.0 C1C D:HEM200 3.1 22.6 1.0 C4B D:HEM200 3.1 23.7 1.0 C4D D:HEM200 3.2 24.7 1.0 CD2 D:HIS92 3.3 35.8 1.0 CHB D:HEM200 3.3 23.4 1.0 CHD D:HEM200 3.4 21.6 1.0 CHA D:HEM200 3.5 24.3 1.0 CHC D:HEM200 3.5 22.2 1.0 CE1 D:HIS63 3.7 39.2 1.0 CG2 D:VAL67 3.9 39.3 1.0 ND1 D:HIS92 4.1 35.8 1.0 C3A D:HEM200 4.2 23.7 1.0 CG D:HIS92 4.3 35.6 1.0 C2A D:HEM200 4.3 23.1 1.0 C2B D:HEM200 4.3 23.3 1.0 C3C D:HEM200 4.3 22.4 1.0 C2D D:HEM200 4.3 23.7 1.0 C2C D:HEM200 4.3 21.4 1.0 C3B D:HEM200 4.3 23.4 1.0 C3D D:HEM200 4.4 24.8 1.0 NE2 D:HIS63 4.4 39.6 1.0 ND1 D:HIS63 4.8 39.5 1.0

S.S.Sundaresan, P.Ramesh, M.N.Ponnuswamy. Crystal Structure of Hemoglobin From Mouse (Mus Musculus)at 2.8 To Be Published.