Iron in PDB 1g9v: High Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector

The structure of High Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector, PDB code: 1g9v was solved by M.K.Safo, C.M.Moure, J.C.Burnett, G.S.Joshi, D.J.Abraham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.00 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.200, 83.560, 53.860, 90.00, 99.16, 90.00
R / Rfree (%)	17.7 / 20.8

The binding sites of Iron atom in the High Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector (pdb code 1g9v). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the High Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector, PDB code: 1g9v:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the High Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of High Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:17.7 occ:1.00 FE A:HEM143 0.0 17.7 1.0 ND A:HEM143 2.1 16.8 1.0 NB A:HEM143 2.1 16.9 1.0 NC A:HEM143 2.1 14.0 1.0 NA A:HEM143 2.1 19.1 1.0 NE2 A:HIS87 2.1 13.6 1.0 CE1 A:HIS87 3.0 14.1 1.0 C4D A:HEM143 3.1 17.1 1.0 C1C A:HEM143 3.1 15.0 1.0 C1B A:HEM143 3.1 15.6 1.0 C1D A:HEM143 3.1 15.1 1.0 C4B A:HEM143 3.1 16.3 1.0 C4C A:HEM143 3.1 13.5 1.0 C4A A:HEM143 3.2 19.3 1.0 C1A A:HEM143 3.2 18.0 1.0 CD2 A:HIS87 3.3 12.9 1.0 O A:HOH1116 3.4 24.5 1.0 CHC A:HEM143 3.5 12.2 1.0 CHA A:HEM143 3.5 14.3 1.0 CHB A:HEM143 3.5 17.8 1.0 CHD A:HEM143 3.5 14.9 1.0 ND1 A:HIS87 4.2 15.8 1.0 C3D A:HEM143 4.4 18.3 1.0 C2C A:HEM143 4.4 15.3 1.0 CG A:HIS87 4.4 15.8 1.0 C2B A:HEM143 4.4 14.6 1.0 CD1 A:LEU91 4.4 16.2 1.0 C2D A:HEM143 4.4 17.6 1.0 C3C A:HEM143 4.4 13.8 1.0 C3B A:HEM143 4.4 15.6 1.0 C2A A:HEM143 4.4 20.0 1.0 C3A A:HEM143 4.4 19.5 1.0 NE2 A:HIS58 4.5 17.6 1.0 CE1 A:HIS58 4.6 17.0 1.0

Iron binding site 2 out of 4 in the High Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of High Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe348 b:16.4 occ:1.00 FE B:HEM348 0.0 16.4 1.0 NA B:HEM348 2.0 15.9 1.0 NC B:HEM348 2.1 15.7 1.0 NB B:HEM348 2.1 15.7 1.0 ND B:HEM348 2.1 17.8 1.0 NE2 B:HIS292 2.2 14.8 1.0 C4A B:HEM348 3.1 16.2 1.0 C1A B:HEM348 3.1 17.6 1.0 C4B B:HEM348 3.1 15.6 1.0 C1C B:HEM348 3.1 13.4 1.0 C1B B:HEM348 3.1 14.9 1.0 C4C B:HEM348 3.1 14.3 1.0 C4D B:HEM348 3.1 17.7 1.0 CE1 B:HIS292 3.1 15.1 1.0 C1D B:HEM348 3.2 16.4 1.0 CD2 B:HIS292 3.2 14.8 1.0 CHC B:HEM348 3.4 13.2 1.0 CHB B:HEM348 3.5 16.0 1.0 CHA B:HEM348 3.5 16.2 1.0 CHD B:HEM348 3.5 15.8 1.0 CG2 B:VAL267 4.1 16.7 1.0 NE2 B:HIS263 4.2 20.3 1.0 C2A B:HEM348 4.3 17.5 1.0 C3A B:HEM348 4.3 18.1 1.0 ND1 B:HIS292 4.3 13.9 1.0 C3B B:HEM348 4.3 16.8 1.0 C2B B:HEM348 4.4 15.4 1.0 CG B:HIS292 4.4 15.3 1.0 C2C B:HEM348 4.4 15.7 1.0 C3D B:HEM348 4.4 17.2 1.0 C3C B:HEM348 4.4 15.1 1.0 C2D B:HEM348 4.4 17.8 1.0 CE1 B:HIS263 4.4 20.1 1.0

Iron binding site 3 out of 4 in the High Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of High Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe543 b:16.1 occ:1.00 FE C:HEM543 0.0 16.1 1.0 NC C:HEM543 2.0 14.5 1.0 ND C:HEM543 2.1 15.1 1.0 NA C:HEM543 2.1 17.9 1.0 NB C:HEM543 2.1 15.6 1.0 NE2 C:HIS487 2.2 16.1 1.0 C1C C:HEM543 3.0 12.8 1.0 C4D C:HEM543 3.1 17.0 1.0 C1D C:HEM543 3.1 15.9 1.0 C4C C:HEM543 3.1 13.9 1.0 C4B C:HEM543 3.1 13.1 1.0 C1A C:HEM543 3.1 15.8 1.0 C4A C:HEM543 3.1 16.6 1.0 CE1 C:HIS487 3.1 14.2 1.0 C1B C:HEM543 3.2 16.1 1.0 CD2 C:HIS487 3.2 14.5 1.0 CHC C:HEM543 3.4 13.2 1.0 CHA C:HEM543 3.5 15.6 1.0 CHD C:HEM543 3.5 15.6 1.0 CHB C:HEM543 3.5 16.0 1.0 O C:HOH1117 3.5 29.8 1.0 C2C C:HEM543 4.3 14.7 1.0 ND1 C:HIS487 4.3 15.8 1.0 C2A C:HEM543 4.3 18.6 1.0 C3C C:HEM543 4.3 13.7 1.0 C3D C:HEM543 4.3 17.0 1.0 C2D C:HEM543 4.3 16.7 1.0 C3A C:HEM543 4.4 17.2 1.0 C3B C:HEM543 4.4 14.7 1.0 CG C:HIS487 4.4 15.2 1.0 C2B C:HEM543 4.4 16.0 1.0 NE2 C:HIS458 4.4 16.6 1.0 CD1 C:LEU491 4.5 15.4 1.0 CE1 C:HIS458 4.6 16.7 1.0

Iron binding site 4 out of 4 in the High Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of High Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe748 b:17.2 occ:1.00 FE D:HEM748 0.0 17.2 1.0 ND D:HEM748 2.0 18.7 1.0 NC D:HEM748 2.0 17.5 1.0 NE2 D:HIS692 2.1 14.1 1.0 NA D:HEM748 2.1 17.7 1.0 NB D:HEM748 2.1 17.4 1.0 CE1 D:HIS692 3.0 12.4 1.0 C4D D:HEM748 3.1 20.1 1.0 C1D D:HEM748 3.1 18.2 1.0 C4C D:HEM748 3.1 15.9 1.0 C1C D:HEM748 3.1 16.1 1.0 C4B D:HEM748 3.1 18.3 1.0 C1A D:HEM748 3.1 19.4 1.0 C1B D:HEM748 3.1 17.2 1.0 C4A D:HEM748 3.2 17.9 1.0 CD2 D:HIS692 3.2 11.9 1.0 CHC D:HEM748 3.4 16.9 1.0 CHA D:HEM748 3.5 18.2 1.0 CHD D:HEM748 3.5 16.4 1.0 CHB D:HEM748 3.5 16.3 1.0 ND1 D:HIS692 4.2 13.4 1.0 CG D:HIS692 4.3 14.0 1.0 CG2 D:VAL667 4.3 17.7 1.0 NE2 D:HIS663 4.3 20.8 1.0 C3D D:HEM748 4.3 21.7 1.0 C2D D:HEM748 4.3 20.1 1.0 C3C D:HEM748 4.3 16.3 1.0 C2C D:HEM748 4.3 17.3 1.0 C2A D:HEM748 4.4 21.2 1.0 C2B D:HEM748 4.4 18.9 1.0 C3B D:HEM748 4.4 21.2 1.0 C3A D:HEM748 4.4 19.3 1.0 CE1 D:HIS663 4.7 21.2 1.0

M.K.Safo, C.M.Moure, J.C.Burnett, G.S.Joshi, D.J.Abraham. High-Resolution Crystal Structure of Deoxy Hemoglobin Complexed with A Potent Allosteric Effector. Protein Sci. V. 10 951 2001.
ISSN: ISSN 0961-8368
PubMed: 11316875
DOI: 10.1110/PS.50601