Iron in PDB 3ciu: Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic

The structure of Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic, PDB code: 3ciu was solved by V.S.Bhatt, Y.Zhang, G.Sun, P.G.Wang, A.F.Palmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.50 / 3.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.604, 73.982, 129.796, 90.00, 90.00, 90.00
R / Rfree (%)	26.8 / 33.2

The binding sites of Iron atom in the Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic (pdb code 3ciu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic, PDB code: 3ciu:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:86.3 occ:1.00 FE A:HEM142 0.0 86.3 1.0 NE2 A:HIS87 1.9 87.5 1.0 NC A:HEM142 2.1 86.4 1.0 ND A:HEM142 2.1 86.6 1.0 NA A:HEM142 2.1 86.9 1.0 NB A:HEM142 2.1 86.5 1.0 O A:O143 2.7 94.3 1.0 CE1 A:HIS87 2.8 87.7 1.0 CD2 A:HIS87 2.9 87.9 1.0 C4C A:HEM142 3.0 86.4 1.0 C1C A:HEM142 3.1 86.3 1.0 C1D A:HEM142 3.1 86.7 1.0 C4D A:HEM142 3.1 86.8 1.0 C1A A:HEM142 3.1 86.9 1.0 C4B A:HEM142 3.1 86.5 1.0 C4A A:HEM142 3.1 87.2 1.0 C1B A:HEM142 3.1 86.7 1.0 CHD A:HEM142 3.4 86.6 1.0 CHC A:HEM142 3.4 86.4 1.0 CHA A:HEM142 3.5 86.8 1.0 CHB A:HEM142 3.5 86.9 1.0 ND1 A:HIS87 3.9 87.6 1.0 CG A:HIS87 4.0 88.0 1.0 O A:HOH144 4.1 0.7 1.0 C3C A:HEM142 4.2 86.4 1.0 C2C A:HEM142 4.2 86.2 1.0 C2D A:HEM142 4.3 86.9 1.0 C2A A:HEM142 4.3 87.0 1.0 C3B A:HEM142 4.3 86.6 1.0 C3A A:HEM142 4.3 87.2 1.0 C3D A:HEM142 4.3 86.9 1.0 C2B A:HEM142 4.3 86.7 1.0

Iron binding site 2 out of 4 in the Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:80.4 occ:1.00 FE B:HEM147 0.0 80.4 1.0 NA B:HEM147 2.0 80.6 1.0 NC B:HEM147 2.1 80.2 1.0 ND B:HEM147 2.1 80.4 1.0 NB B:HEM147 2.1 80.4 1.0 NE2 B:HIS92 2.2 0.6 1.0 O B:O148 2.7 70.8 1.0 C1A B:HEM147 3.0 80.8 1.0 C4C B:HEM147 3.1 80.3 1.0 C1D B:HEM147 3.1 80.4 1.0 C4D B:HEM147 3.1 80.6 1.0 C4A B:HEM147 3.1 80.6 1.0 CE1 B:HIS92 3.1 0.5 1.0 C1C B:HEM147 3.1 80.1 1.0 C1B B:HEM147 3.1 80.3 1.0 C4B B:HEM147 3.1 80.3 1.0 CD2 B:HIS92 3.3 0.9 1.0 CHA B:HEM147 3.4 80.6 1.0 CHD B:HEM147 3.4 80.4 1.0 CHB B:HEM147 3.5 80.5 1.0 CHC B:HEM147 3.5 80.1 1.0 C2A B:HEM147 4.3 81.4 1.0 ND1 B:HIS92 4.3 0.7 1.0 C3A B:HEM147 4.3 80.9 1.0 C3C B:HEM147 4.3 80.3 1.0 C2D B:HEM147 4.3 80.5 1.0 C2C B:HEM147 4.3 80.3 1.0 C3D B:HEM147 4.3 80.7 1.0 C2B B:HEM147 4.3 80.4 1.0 C3B B:HEM147 4.3 80.3 1.0 CG B:HIS92 4.4 0.2 1.0 NE2 B:HIS63 4.7 98.0 1.0

Iron binding site 3 out of 4 in the Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:77.7 occ:1.00 FE C:HEM142 0.0 77.7 1.0 NE2 C:HIS87 1.9 82.7 1.0 NA C:HEM142 2.1 77.8 1.0 NC C:HEM142 2.1 77.3 1.0 ND C:HEM142 2.1 77.4 1.0 NB C:HEM142 2.1 77.1 1.0 O C:O143 2.7 0.3 1.0 CD2 C:HIS87 2.8 84.3 1.0 CE1 C:HIS87 2.9 83.9 1.0 C4C C:HEM142 3.1 77.2 1.0 C1A C:HEM142 3.1 77.9 1.0 C1C C:HEM142 3.1 77.1 1.0 C1D C:HEM142 3.1 77.4 1.0 C4A C:HEM142 3.1 77.8 1.0 C4D C:HEM142 3.1 77.3 1.0 C4B C:HEM142 3.1 76.8 1.0 C1B C:HEM142 3.1 77.0 1.0 CHD C:HEM142 3.4 77.4 1.0 CHA C:HEM142 3.4 77.6 1.0 CHC C:HEM142 3.5 76.8 1.0 CHB C:HEM142 3.5 77.4 1.0 CG C:HIS87 4.0 85.2 1.0 ND1 C:HIS87 4.0 84.4 1.0 C3C C:HEM142 4.2 76.9 1.0 C2C C:HEM142 4.3 77.0 1.0 C2A C:HEM142 4.3 78.3 1.0 C3A C:HEM142 4.3 78.1 1.0 C2D C:HEM142 4.3 77.1 1.0 C3D C:HEM142 4.3 77.1 1.0 C3B C:HEM142 4.3 76.4 1.0 C2B C:HEM142 4.3 76.5 1.0

Iron binding site 4 out of 4 in the Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:0.9 occ:1.00 FE D:HEM147 0.0 0.9 1.0 NE2 D:HIS92 1.9 0.5 1.0 NA D:HEM147 2.1 0.4 1.0 NC D:HEM147 2.1 0.8 1.0 ND D:HEM147 2.1 0.3 1.0 NB D:HEM147 2.1 0.0 1.0 CD2 D:HIS92 2.7 0.3 1.0 CE1 D:HIS92 2.9 0.5 1.0 O D:O148 3.0 96.8 1.0 C4C D:HEM147 3.1 0.8 1.0 C1C D:HEM147 3.1 0.8 1.0 C1A D:HEM147 3.1 0.8 1.0 C4D D:HEM147 3.1 0.5 1.0 C4A D:HEM147 3.1 0.5 1.0 C1D D:HEM147 3.1 0.2 1.0 C4B D:HEM147 3.1 0.9 1.0 C1B D:HEM147 3.1 0.1 1.0 CHA D:HEM147 3.4 0.8 1.0 CHD D:HEM147 3.4 0.1 1.0 CHC D:HEM147 3.4 0.8 1.0 CHB D:HEM147 3.5 0.2 1.0 CG D:HIS92 3.9 0.8 1.0 ND1 D:HIS92 3.9 0.2 1.0 C3C D:HEM147 4.2 0.8 1.0 C2C D:HEM147 4.2 0.8 1.0 C2A D:HEM147 4.3 0.2 1.0 C3A D:HEM147 4.3 0.9 1.0 C3B D:HEM147 4.3 0.9 1.0 C3D D:HEM147 4.3 0.5 1.0 C2B D:HEM147 4.3 0.1 1.0 C2D D:HEM147 4.3 0.3 1.0

V.S.Bhatt, Y.Zhang, G.Sun, P.G.Wang, A.F.Palmer. Site-Selective Glycosylation of Cysteine-93 Beta on the Surface of Bovine Hemoglobin and Its Application As A Novel Oxygen Therapeutic To Be Published.