Iron in PDB 1gli: Deoxyhemoglobin T38W (Alpha Chains), V1G (Alpha and Beta Chains)

The structure of Deoxyhemoglobin T38W (Alpha Chains), V1G (Alpha and Beta Chains), PDB code: 1gli was solved by G.Fermi, B.Vallone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.150, 83.590, 53.800, 90.00, 99.34, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Deoxyhemoglobin T38W (Alpha Chains), V1G (Alpha and Beta Chains) (pdb code 1gli). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Deoxyhemoglobin T38W (Alpha Chains), V1G (Alpha and Beta Chains), PDB code: 1gli:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Deoxyhemoglobin T38W (Alpha Chains), V1G (Alpha and Beta Chains)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Deoxyhemoglobin T38W (Alpha Chains), V1G (Alpha and Beta Chains) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:16.7 occ:1.00 FE A:HEM142 0.0 16.7 1.0 ND A:HEM142 2.0 12.8 1.0 NA A:HEM142 2.1 17.2 1.0 NC A:HEM142 2.1 13.6 1.0 NE2 A:HIS87 2.1 13.6 1.0 NB A:HEM142 2.1 12.5 1.0 C4D A:HEM142 3.1 14.3 1.0 C1A A:HEM142 3.1 16.9 1.0 CE1 A:HIS87 3.1 14.6 1.0 C1D A:HEM142 3.1 11.8 1.0 C1C A:HEM142 3.1 13.6 1.0 C4B A:HEM142 3.1 9.4 1.0 C4A A:HEM142 3.1 15.9 1.0 C1B A:HEM142 3.1 17.7 1.0 C4C A:HEM142 3.1 10.2 1.0 CD2 A:HIS87 3.3 12.5 1.0 CHA A:HEM142 3.4 17.7 1.0 O A:HOH149 3.4 31.5 1.0 CHC A:HEM142 3.5 11.0 1.0 CHD A:HEM142 3.5 13.2 1.0 CHB A:HEM142 3.5 18.9 1.0 ND1 A:HIS87 4.3 15.8 1.0 C2A A:HEM142 4.3 18.4 1.0 C3D A:HEM142 4.3 16.5 1.0 C2D A:HEM142 4.3 17.4 1.0 C3A A:HEM142 4.3 19.2 1.0 C2C A:HEM142 4.4 12.7 1.0 C3B A:HEM142 4.4 15.7 1.0 C2B A:HEM142 4.4 14.0 1.0 C3C A:HEM142 4.4 11.3 1.0 CG A:HIS87 4.4 14.6 1.0 CE1 A:HIS58 4.4 20.2 1.0 NE2 A:HIS58 4.4 18.4 1.0 CD1 A:LEU91 4.6 18.1 1.0

Iron binding site 2 out of 4 in the Deoxyhemoglobin T38W (Alpha Chains), V1G (Alpha and Beta Chains)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Deoxyhemoglobin T38W (Alpha Chains), V1G (Alpha and Beta Chains) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:14.6 occ:1.00 FE B:HEM148 0.0 14.6 1.0 NB B:HEM148 2.0 12.7 1.0 NC B:HEM148 2.0 11.7 1.0 NE2 B:HIS92 2.1 13.9 1.0 ND B:HEM148 2.1 16.0 1.0 NA B:HEM148 2.1 16.8 1.0 CE1 B:HIS92 3.0 14.4 1.0 C4B B:HEM148 3.1 12.2 1.0 C1B B:HEM148 3.1 13.3 1.0 C1C B:HEM148 3.1 14.8 1.0 C1D B:HEM148 3.1 17.1 1.0 C4C B:HEM148 3.1 12.3 1.0 C4D B:HEM148 3.1 17.5 1.0 C1A B:HEM148 3.1 24.7 1.0 C4A B:HEM148 3.1 24.1 1.0 CD2 B:HIS92 3.2 15.1 1.0 CHC B:HEM148 3.4 11.7 1.0 CHB B:HEM148 3.5 18.6 1.0 CHA B:HEM148 3.5 15.5 1.0 CHD B:HEM148 3.5 15.2 1.0 CG2 B:VAL67 4.2 18.0 1.0 ND1 B:HIS92 4.2 16.7 1.0 NE2 B:HIS63 4.3 26.2 1.0 C2B B:HEM148 4.3 8.8 1.0 C3B B:HEM148 4.3 10.9 1.0 C2D B:HEM148 4.3 18.6 1.0 CG B:HIS92 4.3 15.5 1.0 C2C B:HEM148 4.3 15.2 1.0 C3C B:HEM148 4.3 11.9 1.0 C3D B:HEM148 4.3 20.8 1.0 C3A B:HEM148 4.4 19.7 1.0 C2A B:HEM148 4.4 18.9 1.0 CE1 B:HIS63 4.4 21.8 1.0

Iron binding site 3 out of 4 in the Deoxyhemoglobin T38W (Alpha Chains), V1G (Alpha and Beta Chains)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Deoxyhemoglobin T38W (Alpha Chains), V1G (Alpha and Beta Chains) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:16.7 occ:1.00 FE C:HEM142 0.0 16.7 1.0 ND C:HEM142 2.0 12.8 1.0 NA C:HEM142 2.1 17.2 1.0 NC C:HEM142 2.1 13.6 1.0 NE2 C:HIS87 2.1 13.6 1.0 NB C:HEM142 2.1 12.5 1.0 C4D C:HEM142 3.1 14.3 1.0 C1A C:HEM142 3.1 16.9 1.0 CE1 C:HIS87 3.1 14.6 1.0 C1D C:HEM142 3.1 11.8 1.0 C1C C:HEM142 3.1 13.6 1.0 C4B C:HEM142 3.1 9.4 1.0 C4A C:HEM142 3.1 15.9 1.0 C1B C:HEM142 3.1 17.7 1.0 C4C C:HEM142 3.1 10.2 1.0 CD2 C:HIS87 3.3 12.5 1.0 CHA C:HEM142 3.4 17.7 1.0 O C:HOH150 3.4 31.5 1.0 CHC C:HEM142 3.5 11.0 1.0 CHD C:HEM142 3.5 13.2 1.0 CHB C:HEM142 3.5 18.9 1.0 ND1 C:HIS87 4.3 15.8 1.0 C2A C:HEM142 4.3 18.4 1.0 C3D C:HEM142 4.3 16.5 1.0 C2D C:HEM142 4.3 17.4 1.0 C3A C:HEM142 4.3 19.2 1.0 C2C C:HEM142 4.4 12.7 1.0 C3B C:HEM142 4.4 15.7 1.0 C2B C:HEM142 4.4 14.0 1.0 C3C C:HEM142 4.4 11.3 1.0 CG C:HIS87 4.4 14.6 1.0 CE1 C:HIS58 4.4 20.2 1.0 NE2 C:HIS58 4.4 18.4 1.0 CD1 C:LEU91 4.6 18.1 1.0

Iron binding site 4 out of 4 in the Deoxyhemoglobin T38W (Alpha Chains), V1G (Alpha and Beta Chains)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Deoxyhemoglobin T38W (Alpha Chains), V1G (Alpha and Beta Chains) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:14.6 occ:1.00 FE D:HEM147 0.0 14.6 1.0 NB D:HEM147 2.0 12.7 1.0 NC D:HEM147 2.0 11.7 1.0 NE2 D:HIS92 2.1 13.9 1.0 ND D:HEM147 2.1 16.0 1.0 NA D:HEM147 2.1 16.8 1.0 CE1 D:HIS92 3.0 14.4 1.0 C4B D:HEM147 3.1 12.2 1.0 C1B D:HEM147 3.1 13.3 1.0 C1C D:HEM147 3.1 14.8 1.0 C1D D:HEM147 3.1 17.1 1.0 C4C D:HEM147 3.1 12.3 1.0 C4D D:HEM147 3.1 17.5 1.0 C1A D:HEM147 3.1 24.7 1.0 C4A D:HEM147 3.1 24.1 1.0 CD2 D:HIS92 3.2 15.1 1.0 CHC D:HEM147 3.4 11.7 1.0 CHB D:HEM147 3.5 18.6 1.0 CHA D:HEM147 3.5 15.5 1.0 CHD D:HEM147 3.5 15.2 1.0 CG2 D:VAL67 4.2 18.0 1.0 ND1 D:HIS92 4.2 16.7 1.0 NE2 D:HIS63 4.3 26.2 1.0 C2B D:HEM147 4.3 8.8 1.0 C3B D:HEM147 4.3 10.9 1.0 C2D D:HEM147 4.3 18.6 1.0 CG D:HIS92 4.3 15.5 1.0 C2C D:HEM147 4.3 15.2 1.0 C3C D:HEM147 4.3 11.9 1.0 C3D D:HEM147 4.3 20.8 1.0 C3A D:HEM147 4.4 19.7 1.0 C2A D:HEM147 4.4 18.9 1.0 CE1 D:HIS63 4.4 21.8 1.0

B.Vallone, A.Bellelli, A.E.Miele, M.Brunori, G.Fermi. Probing the Alpha 1 Beta 2 Interface of Human Hemoglobin By Mutagenesis. Role of the Fg-C Contact Regions. J.Biol.Chem. V. 271 12472 1996.
ISSN: ISSN 0021-9258
PubMed: 8647854
DOI: 10.1074/JBC.271.21.12472