Iron in PDB 7cue: Crystal Structure of HID2 Bound to Human Hemoglobin

The structure of Crystal Structure of HID2 Bound to Human Hemoglobin, PDB code: 7cue was solved by J.M.M.Caaveiro, M.Hoshino, K.Tsumoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.46 / 2.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	178.5, 52.76, 129.17, 90, 118.35, 90
R / Rfree (%)	21.2 / 25.9

The binding sites of Iron atom in the Crystal Structure of HID2 Bound to Human Hemoglobin (pdb code 7cue). 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 HID2 Bound to Human Hemoglobin, PDB code: 7cue:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of HID2 Bound to Human Hemoglobin


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 HID2 Bound to Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:48.6 occ:1.00 FE A:HEM201 0.0 48.6 1.0 ND A:HEM201 1.9 52.7 1.0 NA A:HEM201 2.0 52.6 1.0 O A:HOH304 2.0 30.7 1.0 NE2 A:HIS87 2.0 36.6 1.0 NC A:HEM201 2.1 51.9 1.0 NB A:HEM201 2.1 51.6 1.0 CE1 A:HIS87 2.8 40.8 1.0 C1D A:HEM201 2.9 50.7 1.0 C4D A:HEM201 2.9 49.5 1.0 C1A A:HEM201 3.0 48.7 1.0 C4C A:HEM201 3.0 53.1 1.0 C4A A:HEM201 3.0 49.8 1.0 C1B A:HEM201 3.0 51.0 1.0 C4B A:HEM201 3.1 53.5 1.0 C1C A:HEM201 3.1 53.3 1.0 CD2 A:HIS87 3.2 39.4 1.0 CHD A:HEM201 3.3 52.3 1.0 CHA A:HEM201 3.4 45.3 1.0 CHB A:HEM201 3.4 51.4 1.0 CHC A:HEM201 3.5 54.2 1.0 ND1 A:HIS87 4.0 38.8 1.0 C2D A:HEM201 4.1 48.7 1.0 C3D A:HEM201 4.2 49.5 1.0 NE2 A:HIS58 4.2 55.4 1.0 C2A A:HEM201 4.2 49.8 1.0 C3A A:HEM201 4.2 51.8 1.0 CG A:HIS87 4.2 39.2 1.0 C3C A:HEM201 4.3 54.8 1.0 C2B A:HEM201 4.3 51.4 1.0 C2C A:HEM201 4.3 51.8 1.0 C3B A:HEM201 4.3 52.8 1.0 CE1 A:HIS58 4.8 52.9 1.0 CD1 A:LEU91 4.9 60.1 1.0

Iron binding site 2 out of 4 in the Crystal Structure of HID2 Bound to Human Hemoglobin


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 HID2 Bound to Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:32.6 occ:1.00 FE B:HEM201 0.0 32.6 1.0 ND B:HEM201 1.9 31.2 1.0 NA B:HEM201 2.0 32.7 1.0 NC B:HEM201 2.1 31.4 1.0 NE2 B:HIS92 2.1 40.6 1.0 NB B:HEM201 2.1 32.8 1.0 O B:HOH301 2.2 43.4 1.0 C4D B:HEM201 2.9 32.4 1.0 C1D B:HEM201 2.9 30.0 1.0 C1A B:HEM201 3.0 32.0 1.0 CE1 B:HIS92 3.0 42.9 1.0 C4C B:HEM201 3.0 30.9 1.0 C4A B:HEM201 3.0 32.6 1.0 C4B B:HEM201 3.1 32.8 1.0 C1B B:HEM201 3.1 32.5 1.0 C1C B:HEM201 3.1 30.0 1.0 CD2 B:HIS92 3.1 41.9 1.0 CHA B:HEM201 3.3 31.1 1.0 CHD B:HEM201 3.4 30.1 1.0 CHB B:HEM201 3.4 33.4 1.0 CHC B:HEM201 3.5 30.3 1.0 NE2 B:HIS63 4.1 49.4 1.0 ND1 B:HIS92 4.2 44.0 1.0 C3D B:HEM201 4.2 33.1 1.0 C2D B:HEM201 4.2 31.4 1.0 C2A B:HEM201 4.2 34.9 1.0 C3A B:HEM201 4.2 33.4 1.0 CG B:HIS92 4.2 44.5 1.0 C3C B:HEM201 4.2 29.5 1.0 C2C B:HEM201 4.3 29.6 1.0 C2B B:HEM201 4.3 32.2 1.0 C3B B:HEM201 4.3 33.5 1.0 CE1 B:HIS63 4.8 51.0 1.0 CD1 B:LEU96 4.9 55.1 1.0

Iron binding site 3 out of 4 in the Crystal Structure of HID2 Bound to Human Hemoglobin


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 HID2 Bound to Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:46.0 occ:1.00 FE C:HEM201 0.0 46.0 1.0 ND C:HEM201 1.9 45.5 1.0 NA C:HEM201 2.0 48.0 1.0 NC C:HEM201 2.1 45.0 1.0 NB C:HEM201 2.1 42.4 1.0 NE2 C:HIS87 2.2 47.9 1.0 O C:HOH305 2.6 43.4 1.0 C1D C:HEM201 2.9 49.9 1.0 C4D C:HEM201 2.9 47.5 1.0 CE1 C:HIS87 3.0 47.1 1.0 C4C C:HEM201 3.0 46.5 1.0 C1A C:HEM201 3.0 49.1 1.0 C4B C:HEM201 3.0 42.0 1.0 C4A C:HEM201 3.1 46.4 1.0 C1B C:HEM201 3.1 41.2 1.0 C1C C:HEM201 3.1 44.6 1.0 CD2 C:HIS87 3.3 50.4 1.0 CHD C:HEM201 3.3 49.6 1.0 CHA C:HEM201 3.4 49.3 1.0 CHC C:HEM201 3.4 44.1 1.0 CHB C:HEM201 3.5 42.6 1.0 NE2 C:HIS58 4.1 69.2 1.0 C2D C:HEM201 4.1 54.5 1.0 C3D C:HEM201 4.2 53.4 1.0 ND1 C:HIS87 4.2 48.9 1.0 C2A C:HEM201 4.2 52.1 1.0 C3C C:HEM201 4.2 42.4 1.0 C3A C:HEM201 4.2 50.8 1.0 C2C C:HEM201 4.2 42.4 1.0 C2B C:HEM201 4.3 39.3 1.0 C3B C:HEM201 4.3 39.5 1.0 CG C:HIS87 4.3 50.0 1.0 CE1 C:HIS58 4.8 65.4 1.0 CG2 C:VAL62 4.9 41.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of HID2 Bound to Human Hemoglobin


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 HID2 Bound to Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:63.5 occ:1.00 FE D:HEM201 0.0 63.5 1.0 ND D:HEM201 1.9 66.8 1.0 NA D:HEM201 2.0 70.2 1.0 NC D:HEM201 2.1 65.7 1.0 NE2 D:HIS92 2.1 53.9 1.0 NB D:HEM201 2.1 67.2 1.0 O D:HOH301 2.3 54.3 1.0 C1D D:HEM201 2.9 67.8 1.0 C4D D:HEM201 2.9 68.8 1.0 C1A D:HEM201 3.0 69.6 1.0 CD2 D:HIS92 3.0 60.2 1.0 C4B D:HEM201 3.1 67.9 1.0 C4C D:HEM201 3.1 65.2 1.0 C4A D:HEM201 3.1 67.2 1.0 C1B D:HEM201 3.1 67.0 1.0 C1C D:HEM201 3.1 67.4 1.0 CE1 D:HIS92 3.1 54.2 1.0 CHA D:HEM201 3.3 71.0 1.0 CHD D:HEM201 3.3 70.4 1.0 CHC D:HEM201 3.5 68.3 1.0 CHB D:HEM201 3.5 66.4 1.0 NE2 D:HIS63 4.1 61.5 1.0 C2D D:HEM201 4.2 66.7 1.0 C3D D:HEM201 4.2 66.0 1.0 C2A D:HEM201 4.2 70.1 1.0 ND1 D:HIS92 4.2 55.8 1.0 CG D:HIS92 4.2 57.7 1.0 C3A D:HEM201 4.2 69.9 1.0 C2C D:HEM201 4.3 69.9 1.0 C3C D:HEM201 4.3 65.9 1.0 C2B D:HEM201 4.3 68.6 1.0 C3B D:HEM201 4.3 70.3 1.0 CG2 D:VAL67 4.7 58.2 1.0 CE1 D:HIS63 4.8 60.6 1.0 CD1 D:LEU96 5.0 75.2 1.0

J.M.M.Caaveiro, M.Hoshino, A.Senoo, M.Nakakido, S.Nagatoishi, J.R.H.Tame, K.Tsumoto. Structural Basis For the Recognition of Human Hemoglobin By the Shr Protein From Streptococcus Pyogenes To Be Published.