Iron in PDB 12rh: Structure of Turkey Hemoglobin A Covalently Bound with Epigallocatechin Gallate

The structure of Structure of Turkey Hemoglobin A Covalently Bound with Epigallocatechin Gallate, PDB code: 12rh was solved by C.A.Bingman, J.Yin, R.W.Smith, M.P.Richards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.58 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80, 81.6, 90.52, 90, 90, 90
R / Rfree (%)	19.6 / 23.9

The binding sites of Iron atom in the Structure of Turkey Hemoglobin A Covalently Bound with Epigallocatechin Gallate (pdb code 12rh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Turkey Hemoglobin A Covalently Bound with Epigallocatechin Gallate, PDB code: 12rh:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of Turkey Hemoglobin A Covalently Bound with Epigallocatechin Gallate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Turkey Hemoglobin A Covalently Bound with Epigallocatechin Gallate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:31.4 occ:1.00 FE A:HEM201 0.0 31.4 1.0 NC A:HEM201 2.0 23.9 1.0 O A:HOH309 2.0 34.0 1.0 ND A:HEM201 2.0 31.3 1.0 NA A:HEM201 2.0 24.4 1.0 NB A:HEM201 2.0 31.3 1.0 NE2 A:HIS87 2.1 33.2 1.0 CD2 A:HIS87 2.9 30.0 1.0 HD2 A:HIS87 3.0 35.7 1.0 C1A A:HEM201 3.0 35.7 1.0 C4C A:HEM201 3.0 29.8 1.0 C4D A:HEM201 3.0 26.8 1.0 C1D A:HEM201 3.0 32.3 1.0 C1C A:HEM201 3.0 28.2 1.0 C4B A:HEM201 3.1 26.0 1.0 C4A A:HEM201 3.1 35.0 1.0 C1B A:HEM201 3.1 31.3 1.0 CE1 A:HIS87 3.3 37.7 1.0 CHA A:HEM201 3.3 36.7 1.0 CHD A:HEM201 3.4 33.7 1.0 CHC A:HEM201 3.4 24.1 1.0 CHB A:HEM201 3.5 33.5 1.0 HE1 A:HIS87 3.6 45.3 1.0 HE2 A:HIS58 3.8 37.1 1.0 HE1 A:HIS58 3.9 42.0 1.0 CG A:HIS87 4.2 35.5 1.0 HG22 A:VAL62 4.2 38.8 1.0 C2A A:HEM201 4.2 32.1 1.0 C2D A:HEM201 4.2 28.5 1.0 C3D A:HEM201 4.2 34.4 1.0 C3C A:HEM201 4.2 22.9 1.0 C2C A:HEM201 4.3 26.5 1.0 C3A A:HEM201 4.3 30.1 1.0 ND1 A:HIS87 4.3 36.0 1.0 HHA A:HEM201 4.3 44.1 1.0 C2B A:HEM201 4.3 36.6 1.0 C3B A:HEM201 4.3 33.1 1.0 HHD A:HEM201 4.4 40.5 1.0 HHC A:HEM201 4.4 28.9 1.0 NE2 A:HIS58 4.4 30.9 1.0 HD13 A:LEU136 4.4 54.9 1.0 HHB A:HEM201 4.4 40.2 1.0 CE1 A:HIS58 4.5 34.9 1.0 HD12 A:LEU91 4.9 47.7 1.0 HZ A:PHE43 4.9 34.0 1.0 HD12 A:LEU136 5.0 54.9 1.0

Iron binding site 2 out of 4 in the Structure of Turkey Hemoglobin A Covalently Bound with Epigallocatechin Gallate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Turkey Hemoglobin A Covalently Bound with Epigallocatechin Gallate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:33.6 occ:1.00 FE B:HEM201 0.0 33.6 1.0 O B:HOH305 1.9 36.1 1.0 NA B:HEM201 2.0 34.2 1.0 ND B:HEM201 2.0 38.8 1.0 NC B:HEM201 2.0 34.5 1.0 NB B:HEM201 2.0 34.0 1.0 NE2 B:HIS92 2.1 42.3 1.0 C1A B:HEM201 3.0 39.5 1.0 C1D B:HEM201 3.0 36.5 1.0 C4D B:HEM201 3.0 40.9 1.0 C4C B:HEM201 3.0 35.6 1.0 CD2 B:HIS92 3.0 42.0 1.0 C4B B:HEM201 3.0 33.3 1.0 C1C B:HEM201 3.1 36.7 1.0 C1B B:HEM201 3.1 35.1 1.0 C4A B:HEM201 3.1 44.0 1.0 HD2 B:HIS92 3.2 50.1 1.0 CE1 B:HIS92 3.2 49.0 1.0 CHA B:HEM201 3.4 42.7 1.0 CHD B:HEM201 3.4 38.6 1.0 HE1 B:HIS92 3.4 58.8 1.0 CHC B:HEM201 3.4 35.8 1.0 CHB B:HEM201 3.4 38.1 1.0 HG22 B:VAL67 4.0 43.8 1.0 CG B:HIS92 4.2 44.2 1.0 C2A B:HEM201 4.2 46.0 1.0 NE2 B:HIS63 4.2 44.5 1.0 HE1 B:HIS63 4.3 55.5 1.0 C2D B:HEM201 4.3 39.6 1.0 C3A B:HEM201 4.3 41.9 1.0 ND1 B:HIS92 4.3 47.6 1.0 C3D B:HEM201 4.3 40.8 1.0 C3B B:HEM201 4.3 37.7 1.0 C3C B:HEM201 4.3 33.2 1.0 C2B B:HEM201 4.3 38.5 1.0 C2C B:HEM201 4.3 34.7 1.0 HHA B:HEM201 4.3 51.3 1.0 HHD B:HEM201 4.4 46.4 1.0 HHC B:HEM201 4.4 43.0 1.0 HHB B:HEM201 4.4 45.8 1.0 HG21 B:VAL67 4.6 43.8 1.0 CE1 B:HIS63 4.6 46.2 1.0 HZ B:PHE42 4.7 38.6 1.0 CG2 B:VAL67 4.7 36.4 1.0

Iron binding site 3 out of 4 in the Structure of Turkey Hemoglobin A Covalently Bound with Epigallocatechin Gallate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Turkey Hemoglobin A Covalently Bound with Epigallocatechin Gallate within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:35.5 occ:1.00 FE C:HEM201 0.0 35.5 1.0 O C:HOH301 1.9 46.7 1.0 NC C:HEM201 2.0 35.9 1.0 ND C:HEM201 2.0 38.2 1.0 NA C:HEM201 2.0 37.2 1.0 NB C:HEM201 2.0 32.7 1.0 NE2 C:HIS87 2.1 34.9 1.0 CD2 C:HIS87 2.9 33.0 1.0 C4C C:HEM201 3.0 32.7 1.0 C1D C:HEM201 3.0 41.5 1.0 C1A C:HEM201 3.0 38.1 1.0 C4D C:HEM201 3.0 40.5 1.0 C1C C:HEM201 3.0 36.3 1.0 C4B C:HEM201 3.1 33.6 1.0 HD2 C:HIS87 3.1 39.6 1.0 C1B C:HEM201 3.1 36.1 1.0 C4A C:HEM201 3.1 40.4 1.0 CE1 C:HIS87 3.1 39.6 1.0 CHA C:HEM201 3.4 43.9 1.0 HE1 C:HIS87 3.4 47.6 1.0 CHD C:HEM201 3.4 35.8 1.0 CHC C:HEM201 3.4 35.4 1.0 CHB C:HEM201 3.5 35.2 1.0 HE2 C:HIS58 3.6 60.8 1.0 HE1 C:HIS58 4.0 47.4 1.0 HG22 C:VAL62 4.1 43.4 1.0 CG C:HIS87 4.1 37.8 1.0 ND1 C:HIS87 4.2 39.3 1.0 C2D C:HEM201 4.2 38.7 1.0 C3D C:HEM201 4.2 41.7 1.0 C3C C:HEM201 4.2 33.1 1.0 C2C C:HEM201 4.3 36.3 1.0 C2A C:HEM201 4.3 41.4 1.0 NE2 C:HIS58 4.3 50.6 1.0 C3B C:HEM201 4.3 35.7 1.0 C3A C:HEM201 4.3 41.5 1.0 C2B C:HEM201 4.3 38.8 1.0 HHA C:HEM201 4.3 52.7 1.0 HHD C:HEM201 4.4 43.1 1.0 HHC C:HEM201 4.4 42.5 1.0 HHB C:HEM201 4.4 42.3 1.0 CE1 C:HIS58 4.5 39.5 1.0 HD13 C:LEU136 4.5 49.0 1.0 HG21 C:VAL62 4.9 43.4 1.0 CG2 C:VAL62 4.9 36.1 1.0 HZ C:PHE43 4.9 42.1 1.0 HD12 C:LEU91 4.9 51.2 1.0 HD1 C:HIS87 5.0 47.2 1.0

Iron binding site 4 out of 4 in the Structure of Turkey Hemoglobin A Covalently Bound with Epigallocatechin Gallate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Turkey Hemoglobin A Covalently Bound with Epigallocatechin Gallate within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:33.9 occ:1.00 FE D:HEM201 0.0 33.9 1.0 O D:HOH302 1.9 39.4 1.0 ND D:HEM201 1.9 41.0 1.0 NA D:HEM201 1.9 37.9 1.0 NC D:HEM201 2.1 35.1 1.0 NB D:HEM201 2.1 34.5 1.0 NE2 D:HIS92 2.1 43.4 1.0 C1A D:HEM201 2.9 41.0 1.0 C4D D:HEM201 3.0 41.9 1.0 C1D D:HEM201 3.0 39.9 1.0 CD2 D:HIS92 3.0 37.6 1.0 C4A D:HEM201 3.0 41.4 1.0 C4C D:HEM201 3.1 33.2 1.0 C1B D:HEM201 3.1 36.5 1.0 CE1 D:HIS92 3.1 48.2 1.0 C4B D:HEM201 3.1 34.4 1.0 C1C D:HEM201 3.1 35.6 1.0 HD2 D:HIS92 3.1 45.1 1.0 CHA D:HEM201 3.3 44.4 1.0 HE1 D:HIS92 3.3 57.9 1.0 CHD D:HEM201 3.4 37.5 1.0 CHB D:HEM201 3.4 35.6 1.0 CHC D:HEM201 3.5 34.6 1.0 HE2 D:HIS63 3.6 53.7 1.0 HG22 D:VAL67 4.1 40.1 1.0 C2A D:HEM201 4.2 42.4 1.0 CG D:HIS92 4.2 49.6 1.0 ND1 D:HIS92 4.2 48.6 1.0 C3D D:HEM201 4.2 42.7 1.0 C2D D:HEM201 4.2 51.1 1.0 C3A D:HEM201 4.2 43.5 1.0 HHA D:HEM201 4.3 53.4 1.0 C3C D:HEM201 4.3 34.1 1.0 C2B D:HEM201 4.3 38.1 1.0 NE2 D:HIS63 4.3 44.7 1.0 C2C D:HEM201 4.4 36.5 1.0 C3B D:HEM201 4.4 39.6 1.0 HHD D:HEM201 4.4 45.0 1.0 HHB D:HEM201 4.4 42.8 1.0 HE1 D:HIS63 4.4 57.6 1.0 HHC D:HEM201 4.5 41.5 1.0 HG21 D:VAL67 4.7 40.1 1.0 CE1 D:HIS63 4.8 48.0 1.0 HZ D:PHE42 4.8 42.6 1.0 CG2 D:VAL67 4.8 33.3 1.0 HG13 D:VAL67 5.0 48.4 1.0 HD1 D:HIS92 5.0 58.4 1.0 HD11 D:LEU141 5.0 66.9 1.0

J.Yin, W.Zhang, N.Tatiyaborworntham, C.A.Bingman, M.P.Richards. Oxidative Characteristics of Turkey Hemoglobin A Containing Covalently Bound Epigallocatechin Gallate. J.Agric.Food Chem. 2026.
ISSN: ESSN 1520-5118
PubMed: 42262311
DOI: 10.1021/ACS.JAFC.5C17482