Iron in PDB 8dov: Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin

The structure of Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin, PDB code: 8dov was solved by R.Macdonald, B.J.Mahoney, D.Cascio, R.T.Clubb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.43 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	216.76, 116.45, 70.88, 90, 96.9, 90
R / Rfree (%)	21.5 / 23.9

The binding sites of Iron atom in the Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin (pdb code 8dov). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin, PDB code: 8dov:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with 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 the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:45.0 occ:1.00 FE A:HEM201 0.0 45.0 1.0 ND A:HEM201 2.0 44.2 1.0 NB A:HEM201 2.1 44.2 1.0 NC A:HEM201 2.1 43.6 1.0 NA A:HEM201 2.1 45.3 1.0 NE2 A:HIS87 2.1 47.4 1.0 C1D A:HEM201 3.1 43.8 1.0 C4D A:HEM201 3.1 44.4 1.0 C1C A:HEM201 3.1 43.0 1.0 C1A A:HEM201 3.1 45.2 1.0 C4B A:HEM201 3.1 43.6 1.0 C4C A:HEM201 3.1 42.8 1.0 C1B A:HEM201 3.1 44.4 1.0 CD2 A:HIS87 3.1 45.9 1.0 C4A A:HEM201 3.1 44.3 1.0 CE1 A:HIS87 3.1 46.5 1.0 CHC A:HEM201 3.4 43.3 1.0 CHA A:HEM201 3.4 44.6 1.0 CHD A:HEM201 3.4 42.8 1.0 CHB A:HEM201 3.5 44.1 1.0 O A:HOH336 3.6 48.3 1.0 NE2 A:HIS58 4.2 48.4 1.0 CG A:HIS87 4.3 45.8 1.0 ND1 A:HIS87 4.3 45.2 1.0 C3B A:HEM201 4.3 44.0 1.0 C2D A:HEM201 4.3 44.0 1.0 C3C A:HEM201 4.3 43.0 1.0 C3D A:HEM201 4.3 45.2 1.0 C2C A:HEM201 4.3 43.2 1.0 C2A A:HEM201 4.3 44.7 1.0 C2B A:HEM201 4.3 44.2 1.0 C3A A:HEM201 4.4 44.0 1.0 CE1 A:HIS58 4.7 48.9 1.0 CD1 A:LEU91 4.8 46.9 1.0 CG2 A:VAL62 4.9 47.1 1.0

Iron binding site 2 out of 8 in the Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with 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 the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:55.8 occ:1.00 FE B:HEM201 0.0 55.8 1.0 NB B:HEM201 2.0 54.2 1.0 ND B:HEM201 2.0 55.8 1.0 NC B:HEM201 2.0 54.6 1.0 NA B:HEM201 2.1 55.9 1.0 NE2 B:HIS92 2.1 60.3 1.0 O B:HOH307 2.9 53.9 1.0 C1C B:HEM201 3.0 53.6 1.0 C4B B:HEM201 3.0 53.9 1.0 C4D B:HEM201 3.1 56.7 1.0 C1D B:HEM201 3.1 55.9 1.0 C1A B:HEM201 3.1 56.6 1.0 C1B B:HEM201 3.1 54.2 1.0 C4C B:HEM201 3.1 54.6 1.0 CE1 B:HIS92 3.1 60.5 1.0 C4A B:HEM201 3.1 55.6 1.0 CD2 B:HIS92 3.1 59.1 1.0 CHC B:HEM201 3.4 53.1 1.0 CHA B:HEM201 3.4 56.4 1.0 CHD B:HEM201 3.4 55.1 1.0 CHB B:HEM201 3.5 54.6 1.0 NE2 B:HIS63 4.1 59.0 1.0 ND1 B:HIS92 4.2 61.0 1.0 CG B:HIS92 4.3 59.6 1.0 C3B B:HEM201 4.3 54.6 1.0 C3C B:HEM201 4.3 54.4 1.0 C2C B:HEM201 4.3 53.9 1.0 C3D B:HEM201 4.3 58.4 1.0 C2D B:HEM201 4.3 56.7 1.0 C2B B:HEM201 4.3 54.1 1.0 C2A B:HEM201 4.3 57.9 1.0 C3A B:HEM201 4.4 56.2 1.0 CE1 B:HIS63 4.7 59.5 1.0 CG2 B:VAL67 4.7 58.0 1.0

Iron binding site 3 out of 8 in the Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with 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 the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:59.6 occ:1.00 FE C:HEM201 0.0 59.6 1.0 ND C:HEM201 2.0 59.0 1.0 NB C:HEM201 2.0 58.9 1.0 NC C:HEM201 2.1 58.4 1.0 NA C:HEM201 2.1 59.8 1.0 NE2 C:HIS87 2.3 71.3 1.0 O C:HOH304 2.7 63.1 1.0 C1C C:HEM201 3.1 57.3 1.0 C1D C:HEM201 3.1 59.2 1.0 C4D C:HEM201 3.1 59.7 1.0 C4B C:HEM201 3.1 58.4 1.0 C1A C:HEM201 3.1 60.4 1.0 C1B C:HEM201 3.1 58.8 1.0 C4C C:HEM201 3.1 57.6 1.0 C4A C:HEM201 3.1 59.9 1.0 CD2 C:HIS87 3.2 70.5 1.0 CE1 C:HIS87 3.4 71.2 1.0 CHC C:HEM201 3.4 57.6 1.0 CHA C:HEM201 3.4 59.6 1.0 CHD C:HEM201 3.4 58.6 1.0 CHB C:HEM201 3.5 59.2 1.0 NE2 C:HIS58 4.1 73.4 1.0 C3B C:HEM201 4.3 57.7 1.0 C2D C:HEM201 4.3 59.3 1.0 C3D C:HEM201 4.3 60.3 1.0 C2C C:HEM201 4.3 57.1 1.0 C3C C:HEM201 4.3 56.6 1.0 C2A C:HEM201 4.3 62.3 1.0 C2B C:HEM201 4.3 58.0 1.0 C3A C:HEM201 4.4 60.8 1.0 CG C:HIS87 4.4 70.3 1.0 ND1 C:HIS87 4.5 71.1 1.0 CE1 C:HIS58 4.6 73.5 1.0 CG2 C:VAL62 4.8 63.1 1.0

Iron binding site 4 out of 8 in the Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with 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 the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:44.4 occ:1.00 FE D:HEM201 0.0 44.4 1.0 ND D:HEM201 2.0 44.3 1.0 NB D:HEM201 2.1 43.4 1.0 NC D:HEM201 2.1 43.7 1.0 NA D:HEM201 2.1 44.4 1.0 NE2 D:HIS92 2.1 48.0 1.0 CE1 D:HIS92 3.0 47.9 1.0 C4D D:HEM201 3.0 45.2 1.0 C1C D:HEM201 3.1 43.1 1.0 C1D D:HEM201 3.1 44.3 1.0 C1A D:HEM201 3.1 44.5 1.0 C4B D:HEM201 3.1 44.4 1.0 C4C D:HEM201 3.1 42.6 1.0 C1B D:HEM201 3.1 43.8 1.0 C4A D:HEM201 3.1 43.1 1.0 CD2 D:HIS92 3.2 46.0 1.0 O D:HOH324 3.2 51.7 1.0 CHC D:HEM201 3.4 44.0 1.0 CHA D:HEM201 3.4 44.7 1.0 CHD D:HEM201 3.4 43.5 1.0 CHB D:HEM201 3.5 42.6 1.0 NE2 D:HIS63 4.2 49.9 1.0 ND1 D:HIS92 4.2 47.1 1.0 CG D:HIS92 4.2 45.3 1.0 C3D D:HEM201 4.3 46.2 1.0 C2D D:HEM201 4.3 44.6 1.0 C3C D:HEM201 4.3 42.4 1.0 C3B D:HEM201 4.3 45.0 1.0 C2C D:HEM201 4.3 43.4 1.0 C2A D:HEM201 4.3 44.6 1.0 C2B D:HEM201 4.3 44.6 1.0 C3A D:HEM201 4.4 43.0 1.0 CE1 D:HIS63 4.7 50.6 1.0 CG2 D:VAL67 4.8 49.4 1.0 CD1 D:LEU96 4.8 46.7 1.0

Iron binding site 5 out of 8 in the Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe201 b:71.5 occ:1.00 FE E:HEM201 0.0 71.5 1.0 ND E:HEM201 2.0 72.3 1.0 NB E:HEM201 2.1 71.4 1.0 NA E:HEM201 2.1 73.0 1.0 NC E:HEM201 2.1 71.5 1.0 NE2 E:HIS87 2.2 84.6 1.0 O E:HOH301 2.5 65.2 1.0 C1D E:HEM201 3.0 72.2 1.0 C1B E:HEM201 3.1 72.0 1.0 C1A E:HEM201 3.1 73.7 1.0 C4D E:HEM201 3.1 73.2 1.0 C4C E:HEM201 3.1 71.3 1.0 CE1 E:HIS87 3.1 85.1 1.0 C4A E:HEM201 3.1 73.1 1.0 C1C E:HEM201 3.1 71.1 1.0 C4B E:HEM201 3.1 71.6 1.0 CD2 E:HIS87 3.3 84.1 1.0 CHD E:HEM201 3.4 71.8 1.0 CHB E:HEM201 3.4 72.5 1.0 CHA E:HEM201 3.4 73.3 1.0 CHC E:HEM201 3.5 71.2 1.0 NE2 E:HIS58 4.2 89.6 1.0 ND1 E:HIS87 4.3 84.8 1.0 C2D E:HEM201 4.3 72.8 1.0 C3C E:HEM201 4.3 70.8 1.0 C3D E:HEM201 4.3 73.7 1.0 C3B E:HEM201 4.3 72.0 1.0 C2A E:HEM201 4.3 75.0 1.0 C2B E:HEM201 4.3 71.9 1.0 C3A E:HEM201 4.3 74.0 1.0 C2C E:HEM201 4.3 70.8 1.0 CG E:HIS87 4.4 83.6 1.0 CE1 E:HIS58 4.6 89.6 1.0 CG2 E:VAL62 4.7 89.3 1.0

Iron binding site 6 out of 8 in the Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe201 b:52.8 occ:1.00 FE F:HEM201 0.0 52.8 1.0 ND F:HEM201 2.0 51.6 1.0 NB F:HEM201 2.1 52.2 1.0 NC F:HEM201 2.1 52.0 1.0 NA F:HEM201 2.1 52.1 1.0 NE2 F:HIS92 2.2 58.0 1.0 C4D F:HEM201 3.0 52.6 1.0 C1D F:HEM201 3.0 52.0 1.0 C1C F:HEM201 3.1 52.1 1.0 C1A F:HEM201 3.1 51.5 1.0 C4B F:HEM201 3.1 52.9 1.0 C4C F:HEM201 3.1 51.5 1.0 C1B F:HEM201 3.1 52.5 1.0 C4A F:HEM201 3.1 51.9 1.0 O F:HOH314 3.2 57.3 1.0 CE1 F:HIS92 3.2 58.1 1.0 CD2 F:HIS92 3.3 55.2 1.0 CHA F:HEM201 3.4 51.8 1.0 CHC F:HEM201 3.4 52.6 1.0 CHD F:HEM201 3.4 51.8 1.0 CHB F:HEM201 3.5 51.8 1.0 NE2 F:HIS63 4.1 62.2 1.0 C3D F:HEM201 4.3 53.4 1.0 C2D F:HEM201 4.3 52.2 1.0 C3C F:HEM201 4.3 52.2 1.0 C3B F:HEM201 4.3 53.5 1.0 C2C F:HEM201 4.3 52.4 1.0 C2A F:HEM201 4.3 51.8 1.0 C2B F:HEM201 4.3 53.0 1.0 ND1 F:HIS92 4.3 57.5 1.0 C3A F:HEM201 4.3 52.0 1.0 CG F:HIS92 4.4 55.1 1.0 CE1 F:HIS63 4.7 62.9 1.0 CG2 F:VAL67 4.8 58.1 1.0 CD1 F:LEU96 4.9 58.9 1.0

Iron binding site 7 out of 8 in the Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe201 b:70.7 occ:1.00 FE G:HEM201 0.0 70.7 1.0 ND G:HEM201 2.0 71.6 1.0 NB G:HEM201 2.0 71.4 1.0 NA G:HEM201 2.1 72.1 1.0 NC G:HEM201 2.1 70.5 1.0 NE2 G:HIS87 2.2 85.7 1.0 C4D G:HEM201 3.1 72.2 1.0 C1A G:HEM201 3.1 72.4 1.0 C4B G:HEM201 3.1 71.0 1.0 C1D G:HEM201 3.1 71.7 1.0 C1C G:HEM201 3.1 70.0 1.0 C1B G:HEM201 3.1 71.6 1.0 C4A G:HEM201 3.1 72.2 1.0 C4C G:HEM201 3.1 70.0 1.0 CD2 G:HIS87 3.2 84.8 1.0 CE1 G:HIS87 3.2 85.5 1.0 O G:HOH311 3.3 62.3 1.0 CHC G:HEM201 3.4 70.2 1.0 CHA G:HEM201 3.4 72.2 1.0 CHD G:HEM201 3.5 70.6 1.0 CHB G:HEM201 3.5 71.8 1.0 NE2 G:HIS58 4.1 81.9 1.0 C3B G:HEM201 4.3 71.1 1.0 C3D G:HEM201 4.3 72.7 1.0 C2D G:HEM201 4.3 72.1 1.0 C2A G:HEM201 4.3 73.2 1.0 C2B G:HEM201 4.3 71.3 1.0 C2C G:HEM201 4.3 69.7 1.0 C3C G:HEM201 4.3 69.9 1.0 C3A G:HEM201 4.3 72.7 1.0 CG G:HIS87 4.3 84.1 1.0 ND1 G:HIS87 4.4 85.0 1.0 CE1 G:HIS58 4.6 82.4 1.0 CG2 G:VAL62 4.8 73.4 1.0

Iron binding site 8 out of 8 in the Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in Complex with Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe201 b:56.2 occ:1.00 FE H:HEM201 0.0 56.2 1.0 NB H:HEM201 2.0 55.6 1.0 ND H:HEM201 2.0 56.9 1.0 NC H:HEM201 2.1 55.1 1.0 NA H:HEM201 2.1 57.0 1.0 NE2 H:HIS92 2.1 62.6 1.0 O H:HOH307 2.7 54.6 1.0 C1C H:HEM201 3.0 54.8 1.0 C4B H:HEM201 3.0 55.6 1.0 C1A H:HEM201 3.1 58.4 1.0 C4D H:HEM201 3.1 58.1 1.0 C1B H:HEM201 3.1 55.6 1.0 C1D H:HEM201 3.1 56.9 1.0 C4C H:HEM201 3.1 55.2 1.0 CD2 H:HIS92 3.1 61.8 1.0 C4A H:HEM201 3.1 56.5 1.0 CE1 H:HIS92 3.1 62.7 1.0 CHC H:HEM201 3.4 54.9 1.0 CHA H:HEM201 3.4 58.2 1.0 CHB H:HEM201 3.5 55.9 1.0 CHD H:HEM201 3.5 55.9 1.0 NE2 H:HIS63 4.1 60.3 1.0 CG H:HIS92 4.2 62.1 1.0 ND1 H:HIS92 4.3 62.9 1.0 C3B H:HEM201 4.3 56.3 1.0 C2B H:HEM201 4.3 55.8 1.0 C2C H:HEM201 4.3 54.9 1.0 C3C H:HEM201 4.3 55.2 1.0 C3D H:HEM201 4.3 59.4 1.0 C2D H:HEM201 4.3 57.8 1.0 C2A H:HEM201 4.3 59.8 1.0 C3A H:HEM201 4.3 57.9 1.0 CE1 H:HIS63 4.7 60.5 1.0 CG2 H:VAL67 4.8 57.4 1.0

R.Macdonald, B.J.Mahoney, J.Soule, A.K.Goring, J.Ford, J.A.Loo, D.Cascio, R.T.Clubb. The Shr Receptor From Streptococcus Pyogenes Uses A 'Cap and Release' Mechanism to Acquire Heme-Iron From Human Hemoglobin To Be Published.