Iron in PDB 9ayz: T-State Hbg Makassar Hemoglobin

The structure of T-State Hbg Makassar Hemoglobin, PDB code: 9ayz was solved by P.R.Feliciano, S.J.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.05 / 2.24
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.625, 109.187, 82.096, 90, 90.11, 90
R / Rfree (%)	23 / 25.9

The binding sites of Iron atom in the T-State Hbg Makassar Hemoglobin (pdb code 9ayz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the T-State Hbg Makassar Hemoglobin, PDB code: 9ayz:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the T-State Hbg Makassar Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of T-State Hbg Makassar Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:45.1 occ:1.00 FE A:HEM201 0.0 45.1 1.0 ND A:HEM201 2.0 42.5 1.0 NA A:HEM201 2.0 44.3 1.0 NB A:HEM201 2.1 39.6 1.0 NC A:HEM201 2.1 43.4 1.0 NE2 A:HIS87 2.3 44.5 1.0 CE1 A:HIS87 2.9 44.5 1.0 C1D A:HEM201 3.1 44.1 1.0 C4D A:HEM201 3.1 44.1 1.0 C1A A:HEM201 3.1 45.0 1.0 C4A A:HEM201 3.1 43.3 1.0 C1B A:HEM201 3.1 39.2 1.0 C4B A:HEM201 3.1 40.0 1.0 C1C A:HEM201 3.1 40.6 1.0 C4C A:HEM201 3.1 42.8 1.0 CHA A:HEM201 3.4 44.2 1.0 CHB A:HEM201 3.4 39.4 1.0 CHD A:HEM201 3.4 43.1 1.0 CHC A:HEM201 3.4 40.5 1.0 CD2 A:HIS87 3.5 43.9 1.0 NE2 A:HIS58 4.0 43.1 1.0 CE1 A:HIS58 4.2 40.4 1.0 ND1 A:HIS87 4.2 42.6 1.0 C2D A:HEM201 4.3 45.0 1.0 C3D A:HEM201 4.3 44.3 1.0 C2A A:HEM201 4.3 47.9 1.0 C3A A:HEM201 4.3 45.9 1.0 C2C A:HEM201 4.3 39.1 1.0 C3C A:HEM201 4.3 41.7 1.0 C2B A:HEM201 4.3 40.4 1.0 C3B A:HEM201 4.3 39.9 1.0 CD1 A:LEU91 4.4 48.2 1.0 CG A:HIS87 4.5 42.2 1.0 CG2 A:VAL62 4.5 40.0 1.0

Iron binding site 2 out of 8 in the T-State Hbg Makassar Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of T-State Hbg Makassar Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:43.3 occ:1.00 FE B:HEM201 0.0 43.3 1.0 NA B:HEM201 2.0 46.5 1.0 ND B:HEM201 2.0 44.5 1.0 NC B:HEM201 2.1 42.4 1.0 NB B:HEM201 2.1 38.8 1.0 NE2 B:HIS92 2.2 42.0 1.0 CE1 B:HIS92 3.0 37.2 1.0 C4D B:HEM201 3.1 43.8 1.0 C1A B:HEM201 3.1 44.5 1.0 C1C B:HEM201 3.1 37.3 1.0 C1D B:HEM201 3.1 43.8 1.0 C4C B:HEM201 3.1 38.9 1.0 C4B B:HEM201 3.1 37.4 1.0 C4A B:HEM201 3.1 42.7 1.0 C1B B:HEM201 3.1 37.9 1.0 CD2 B:HIS92 3.3 39.3 1.0 CHA B:HEM201 3.4 40.7 1.0 CHC B:HEM201 3.4 35.1 1.0 CHD B:HEM201 3.4 40.3 1.0 CHB B:HEM201 3.4 38.2 1.0 CG2 B:VAL67 3.8 40.8 1.0 NE2 B:HIS63 3.9 51.9 1.0 CE1 B:HIS63 4.0 49.6 1.0 ND1 B:HIS92 4.2 37.8 1.0 C2D B:HEM201 4.3 43.4 1.0 C3D B:HEM201 4.3 43.7 1.0 C2C B:HEM201 4.3 36.9 1.0 C2A B:HEM201 4.3 45.0 1.0 C3C B:HEM201 4.3 37.6 1.0 C3A B:HEM201 4.3 43.8 1.0 C3B B:HEM201 4.3 37.3 1.0 C2B B:HEM201 4.3 38.3 1.0 CG B:HIS92 4.4 38.7 1.0

Iron binding site 3 out of 8 in the T-State Hbg Makassar Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of T-State Hbg Makassar Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:34.2 occ:1.00 FE C:HEM201 0.0 34.2 1.0 ND C:HEM201 2.0 35.6 1.0 NA C:HEM201 2.0 34.9 1.0 NB C:HEM201 2.1 33.6 1.0 NC C:HEM201 2.1 33.0 1.0 NE2 C:HIS87 2.4 39.9 1.0 CE1 C:HIS87 3.0 38.9 1.0 C1C C:HEM201 3.1 32.1 1.0 C4C C:HEM201 3.1 34.4 1.0 C1D C:HEM201 3.1 35.3 1.0 C1A C:HEM201 3.1 36.7 1.0 C4D C:HEM201 3.1 40.3 1.0 C4A C:HEM201 3.1 36.6 1.0 C4B C:HEM201 3.1 33.8 1.0 C1B C:HEM201 3.1 33.7 1.0 CHC C:HEM201 3.4 32.3 1.0 CHD C:HEM201 3.4 35.3 1.0 CHA C:HEM201 3.4 39.0 1.0 CHB C:HEM201 3.4 34.9 1.0 CD2 C:HIS87 3.6 32.5 1.0 NE2 C:HIS58 4.2 39.0 1.0 CE1 C:HIS58 4.2 38.0 1.0 C2C C:HEM201 4.3 31.2 1.0 C3C C:HEM201 4.3 30.8 1.0 C2D C:HEM201 4.3 35.8 1.0 C2A C:HEM201 4.3 39.3 1.0 C3A C:HEM201 4.3 39.2 1.0 C3D C:HEM201 4.3 41.5 1.0 ND1 C:HIS87 4.3 33.6 1.0 C2B C:HEM201 4.3 33.8 1.0 C3B C:HEM201 4.3 35.0 1.0 CG C:HIS87 4.6 32.4 1.0 CD1 C:LEU91 4.6 36.9 1.0 CG2 C:VAL62 4.7 37.7 1.0

Iron binding site 4 out of 8 in the T-State Hbg Makassar Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of T-State Hbg Makassar Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:161.8 occ:1.00 FE D:HEM201 0.0 161.8 1.0 NB D:HEM201 2.0 137.4 1.0 NC D:HEM201 2.0 147.4 1.0 ND D:HEM201 2.0 141.6 1.0 NA D:HEM201 2.1 145.5 1.0 NE2 D:HIS92 2.1 149.2 1.0 CD2 D:HIS92 3.0 147.4 1.0 C1C D:HEM201 3.0 147.9 1.0 C1B D:HEM201 3.0 136.7 1.0 C4D D:HEM201 3.0 137.8 1.0 C4B D:HEM201 3.0 138.6 1.0 C4C D:HEM201 3.1 145.3 1.0 C1A D:HEM201 3.1 140.8 1.0 C1D D:HEM201 3.1 136.0 1.0 C4A D:HEM201 3.1 140.6 1.0 CE1 D:HIS92 3.2 151.9 1.0 CHA D:HEM201 3.4 136.6 1.0 CHC D:HEM201 3.4 143.3 1.0 CHB D:HEM201 3.4 138.4 1.0 CHD D:HEM201 3.4 134.6 1.0 NE2 D:HIS63 3.7 93.9 1.0 CG D:HIS92 4.2 148.5 1.0 ND1 D:HIS92 4.2 153.1 1.0 C2B D:HEM201 4.2 134.0 1.0 C2C D:HEM201 4.2 145.2 1.0 C3B D:HEM201 4.2 134.5 1.0 C3D D:HEM201 4.3 138.6 1.0 C3C D:HEM201 4.3 145.8 1.0 C2D D:HEM201 4.3 136.5 1.0 C2A D:HEM201 4.3 139.2 1.0 C3A D:HEM201 4.3 139.2 1.0 CE1 D:HIS63 4.4 91.5 1.0 CD2 D:HIS63 4.8 74.6 1.0 CD2 D:LEU91 5.0 115.8 1.0

Iron binding site 5 out of 8 in the T-State Hbg Makassar Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of T-State Hbg Makassar Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe201 b:42.5 occ:1.00 FE E:HEM201 0.0 42.5 1.0 NA E:HEM201 2.0 42.9 1.0 ND E:HEM201 2.1 43.5 1.0 NB E:HEM201 2.1 40.7 1.0 NC E:HEM201 2.1 43.1 1.0 NE2 E:HIS87 2.4 42.3 1.0 C1A E:HEM201 3.0 45.8 1.0 C4D E:HEM201 3.1 47.8 1.0 C4A E:HEM201 3.1 42.9 1.0 C1C E:HEM201 3.1 42.0 1.0 C4B E:HEM201 3.1 40.6 1.0 C1B E:HEM201 3.1 39.5 1.0 C1D E:HEM201 3.1 44.1 1.0 C4C E:HEM201 3.1 44.1 1.0 CE1 E:HIS87 3.1 41.0 1.0 CHA E:HEM201 3.4 48.6 1.0 CHC E:HEM201 3.4 41.5 1.0 CHB E:HEM201 3.4 39.3 1.0 CHD E:HEM201 3.5 43.3 1.0 CD2 E:HIS87 3.5 40.1 1.0 C2A E:HEM201 4.2 48.3 1.0 NE2 E:HIS58 4.3 45.3 1.0 C3A E:HEM201 4.3 45.5 1.0 C2C E:HEM201 4.3 39.8 1.0 C3D E:HEM201 4.3 47.4 1.0 C3B E:HEM201 4.3 40.5 1.0 C2B E:HEM201 4.3 40.0 1.0 C3C E:HEM201 4.3 40.5 1.0 C2D E:HEM201 4.3 42.9 1.0 CE1 E:HIS58 4.3 41.8 1.0 ND1 E:HIS87 4.3 38.9 1.0 CG2 E:VAL62 4.5 42.6 1.0 CG E:HIS87 4.6 39.2 1.0 CD1 E:LEU91 4.6 41.3 1.0

Iron binding site 6 out of 8 in the T-State Hbg Makassar Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of T-State Hbg Makassar Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe201 b:88.7 occ:1.00 FE F:HEM201 0.0 88.7 1.0 ND F:HEM201 2.1 86.2 1.0 NC F:HEM201 2.1 84.3 1.0 NB F:HEM201 2.1 83.7 1.0 NA F:HEM201 2.1 89.9 1.0 NE2 F:HIS92 2.4 85.8 1.0 C4A F:HEM201 3.0 89.5 1.0 C1A F:HEM201 3.0 87.7 1.0 C1B F:HEM201 3.1 84.4 1.0 C4D F:HEM201 3.1 87.2 1.0 C1D F:HEM201 3.1 81.4 1.0 C4C F:HEM201 3.1 81.5 1.0 C1C F:HEM201 3.1 82.7 1.0 C4B F:HEM201 3.1 83.8 1.0 CD2 F:HIS92 3.2 80.0 1.0 CE1 F:HIS92 3.3 82.4 1.0 CHB F:HEM201 3.4 87.9 1.0 CHA F:HEM201 3.4 86.0 1.0 CHD F:HEM201 3.4 78.7 1.0 CHC F:HEM201 3.4 84.1 1.0 CG2 F:VAL67 3.9 74.7 1.0 CE1 F:HIS63 4.2 80.1 1.0 C3A F:HEM201 4.2 90.9 1.0 C2A F:HEM201 4.2 90.8 1.0 ND1 F:HIS92 4.3 75.2 1.0 C3D F:HEM201 4.3 88.9 1.0 C2D F:HEM201 4.3 83.2 1.0 C2B F:HEM201 4.3 82.7 1.0 CG F:HIS92 4.3 76.2 1.0 C2C F:HEM201 4.3 77.7 1.0 C3C F:HEM201 4.3 81.1 1.0 C3B F:HEM201 4.3 80.7 1.0 NE2 F:HIS63 4.6 83.6 1.0

Iron binding site 7 out of 8 in the T-State Hbg Makassar Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of T-State Hbg Makassar Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe201 b:69.3 occ:1.00 FE G:HEM201 0.0 69.3 1.0 ND G:HEM201 2.1 72.8 1.0 NB G:HEM201 2.1 63.8 1.0 NC G:HEM201 2.1 66.5 1.0 NA G:HEM201 2.1 73.7 1.0 NE2 G:HIS87 2.1 70.8 1.0 CE1 G:HIS87 2.9 73.0 1.0 C1A G:HEM201 3.0 76.3 1.0 C4A G:HEM201 3.0 73.1 1.0 C4D G:HEM201 3.1 76.4 1.0 C1C G:HEM201 3.1 65.5 1.0 C1B G:HEM201 3.1 65.6 1.0 C4B G:HEM201 3.1 63.3 1.0 C1D G:HEM201 3.1 73.1 1.0 C4C G:HEM201 3.1 66.2 1.0 CD2 G:HIS87 3.2 70.5 1.0 CHA G:HEM201 3.4 77.7 1.0 CHC G:HEM201 3.4 62.8 1.0 CHB G:HEM201 3.4 70.9 1.0 CHD G:HEM201 3.5 70.9 1.0 ND1 G:HIS87 4.1 71.8 1.0 NE2 G:HIS58 4.1 74.4 1.0 CE1 G:HIS58 4.2 72.7 1.0 C2A G:HEM201 4.2 77.1 1.0 C3A G:HEM201 4.2 75.3 1.0 CG G:HIS87 4.3 69.8 1.0 C3D G:HEM201 4.3 76.4 1.0 C2C G:HEM201 4.3 65.4 1.0 C2D G:HEM201 4.3 74.5 1.0 C2B G:HEM201 4.3 65.2 1.0 C3B G:HEM201 4.3 65.6 1.0 C3C G:HEM201 4.3 63.5 1.0 CD1 G:LEU91 4.4 72.8 1.0

Iron binding site 8 out of 8 in the T-State Hbg Makassar Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of T-State Hbg Makassar Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe201 b:48.4 occ:1.00 FE H:HEM201 0.0 48.4 1.0 ND H:HEM201 2.0 47.4 1.0 NB H:HEM201 2.0 40.6 1.0 NA H:HEM201 2.1 46.9 1.0 NC H:HEM201 2.1 40.8 1.0 NE2 H:HIS92 2.3 50.5 1.0 C4C H:HEM201 3.0 41.5 1.0 C1C H:HEM201 3.1 39.4 1.0 C1D H:HEM201 3.1 46.3 1.0 C4A H:HEM201 3.1 45.4 1.0 C1B H:HEM201 3.1 39.7 1.0 C4B H:HEM201 3.1 38.7 1.0 C1A H:HEM201 3.1 51.1 1.0 C4D H:HEM201 3.1 48.0 1.0 CE1 H:HIS92 3.2 42.2 1.0 CD2 H:HIS92 3.3 43.1 1.0 CHD H:HEM201 3.4 41.9 1.0 CHB H:HEM201 3.4 42.0 1.0 CHC H:HEM201 3.4 38.9 1.0 CHA H:HEM201 3.4 48.2 1.0 NE2 H:HIS63 3.5 56.4 1.0 CE1 H:HIS63 3.9 55.7 1.0 CG2 H:VAL67 4.0 45.4 1.0 C3C H:HEM201 4.3 41.1 1.0 C2C H:HEM201 4.3 41.1 1.0 C3A H:HEM201 4.3 49.9 1.0 C2D H:HEM201 4.3 47.5 1.0 C2A H:HEM201 4.3 54.1 1.0 C3D H:HEM201 4.3 48.8 1.0 C2B H:HEM201 4.3 40.7 1.0 C3B H:HEM201 4.3 39.5 1.0 ND1 H:HIS92 4.3 41.0 1.0 CG H:HIS92 4.4 42.1 1.0 CD2 H:HIS63 4.8 57.1 1.0 CD1 H:LEU96 5.0 43.9 1.0

Z.Kostamo, M.A.Ortega. Installation of Hbg- Makassar By Base Editing Restores Hemoglobin Function: A Transformative Therapy For Sickle Cell Disease To Be Published.