Iron in PDB 1sdk: Cross-Linked, Carbonmonoxy Hemoglobin A

The structure of Cross-Linked, Carbonmonoxy Hemoglobin A, PDB code: 1sdk was solved by M.A.Schumacher, M.M.Dixon, R.Kluger, R.T.Jones, R.G.Brennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.430, 72.160, 88.030, 90.00, 108.25, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Cross-Linked, Carbonmonoxy Hemoglobin A (pdb code 1sdk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Cross-Linked, Carbonmonoxy Hemoglobin A, PDB code: 1sdk:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Cross-Linked, Carbonmonoxy Hemoglobin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cross-Linked, Carbonmonoxy Hemoglobin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:10.5 occ:1.00 FE A:HEM200 0.0 10.5 1.0 C A:CMO201 1.7 2.2 1.0 ND A:HEM200 2.0 3.8 1.0 NC A:HEM200 2.0 4.5 1.0 NB A:HEM200 2.0 15.8 1.0 NE2 A:HIS87 2.0 8.3 1.0 NA A:HEM200 2.0 6.3 1.0 O A:CMO201 2.9 16.4 1.0 CE1 A:HIS87 2.9 7.9 1.0 C1D A:HEM200 3.0 18.7 1.0 C4C A:HEM200 3.0 13.2 1.0 C1B A:HEM200 3.0 10.3 1.0 C4D A:HEM200 3.0 9.5 1.0 C4B A:HEM200 3.0 12.2 1.0 C1C A:HEM200 3.1 12.2 1.0 C1A A:HEM200 3.1 13.7 1.0 C4A A:HEM200 3.1 21.3 1.0 CD2 A:HIS87 3.1 7.7 1.0 CHD A:HEM200 3.4 6.0 1.0 CHA A:HEM200 3.4 15.3 1.0 CHC A:HEM200 3.4 10.3 1.0 CHB A:HEM200 3.5 12.9 1.0 ND1 A:HIS87 4.1 5.6 1.0 CG A:HIS87 4.2 6.8 1.0 NE2 A:HIS58 4.2 19.0 1.0 C2B A:HEM200 4.2 18.5 1.0 C3B A:HEM200 4.3 12.6 1.0 C2D A:HEM200 4.3 10.1 1.0 C3C A:HEM200 4.3 5.7 1.0 C3D A:HEM200 4.3 13.1 1.0 C2C A:HEM200 4.3 6.8 1.0 C2A A:HEM200 4.3 13.8 1.0 C3A A:HEM200 4.3 9.3 1.0 CG2 A:VAL62 4.9 10.7 1.0

Iron binding site 2 out of 4 in the Cross-Linked, Carbonmonoxy Hemoglobin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cross-Linked, Carbonmonoxy Hemoglobin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:12.3 occ:1.00 FE B:HEM200 0.0 12.3 1.0 C B:CMO201 1.7 25.4 1.0 ND B:HEM200 1.9 5.5 1.0 NB B:HEM200 2.0 8.2 1.0 NC B:HEM200 2.0 1.0 1.0 NE2 B:HIS92 2.0 15.3 1.0 NA B:HEM200 2.1 11.4 1.0 O B:CMO201 2.6 14.9 1.0 CE1 B:HIS92 2.7 11.2 1.0 C1D B:HEM200 3.0 8.1 1.0 C4D B:HEM200 3.0 4.4 1.0 C1B B:HEM200 3.0 15.0 1.0 C4C B:HEM200 3.0 6.2 1.0 C1C B:HEM200 3.1 10.4 1.0 C4A B:HEM200 3.1 13.9 1.0 C4B B:HEM200 3.1 6.3 1.0 C1A B:HEM200 3.1 6.2 1.0 CD2 B:HIS92 3.3 15.0 1.0 CHD B:HEM200 3.4 7.0 1.0 CHB B:HEM200 3.4 14.9 1.0 CHC B:HEM200 3.4 1.1 1.0 CHA B:HEM200 3.4 8.2 1.0 ND1 B:HIS92 4.0 11.4 1.0 C3D B:HEM200 4.2 9.9 1.0 C2D B:HEM200 4.2 12.4 1.0 C2B B:HEM200 4.2 11.2 1.0 CG B:HIS92 4.2 6.6 1.0 C3C B:HEM200 4.3 7.4 1.0 C2C B:HEM200 4.3 15.2 1.0 C3B B:HEM200 4.3 11.1 1.0 C2A B:HEM200 4.3 10.1 1.0 C3A B:HEM200 4.3 10.6 1.0 NE2 B:HIS63 4.4 19.4 1.0 CG2 B:VAL67 4.6 7.6 1.0

Iron binding site 3 out of 4 in the Cross-Linked, Carbonmonoxy Hemoglobin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cross-Linked, Carbonmonoxy Hemoglobin A within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe200 b:12.4 occ:1.00 FE C:HEM200 0.0 12.4 1.0 C C:CMO201 1.8 12.2 1.0 NE2 C:HIS87 1.9 8.5 1.0 ND C:HEM200 2.0 13.0 1.0 NA C:HEM200 2.0 7.2 1.0 NB C:HEM200 2.0 7.8 1.0 NC C:HEM200 2.0 7.9 1.0 CE1 C:HIS87 2.9 8.2 1.0 O C:CMO201 2.9 24.2 1.0 CD2 C:HIS87 2.9 8.2 1.0 C4D C:HEM200 3.0 16.1 1.0 C1A C:HEM200 3.0 14.5 1.0 C4A C:HEM200 3.0 22.4 1.0 C1D C:HEM200 3.1 12.4 1.0 C4B C:HEM200 3.1 12.3 1.0 C1B C:HEM200 3.1 18.2 1.0 C1C C:HEM200 3.1 15.7 1.0 C4C C:HEM200 3.1 12.8 1.0 CHB C:HEM200 3.4 10.2 1.0 CHA C:HEM200 3.4 12.4 1.0 CHC C:HEM200 3.4 8.2 1.0 CHD C:HEM200 3.5 10.0 1.0 ND1 C:HIS87 4.0 4.3 1.0 CG C:HIS87 4.1 9.2 1.0 C3D C:HEM200 4.2 12.0 1.0 C2A C:HEM200 4.2 19.1 1.0 C2D C:HEM200 4.3 11.2 1.0 C3B C:HEM200 4.3 13.6 1.0 C3A C:HEM200 4.3 23.6 1.0 C3C C:HEM200 4.3 8.1 1.0 C2B C:HEM200 4.3 11.5 1.0 C2C C:HEM200 4.3 9.9 1.0 NE2 C:HIS58 4.4 19.7 1.0 CG2 C:VAL62 4.9 11.4 1.0

Iron binding site 4 out of 4 in the Cross-Linked, Carbonmonoxy Hemoglobin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cross-Linked, Carbonmonoxy Hemoglobin A within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe200 b:14.3 occ:1.00 FE D:HEM200 0.0 14.3 1.0 C D:CMO201 1.7 19.2 1.0 ND D:HEM200 2.0 21.0 1.0 NB D:HEM200 2.0 12.4 1.0 NE2 D:HIS92 2.1 9.5 1.0 NC D:HEM200 2.1 12.1 1.0 NA D:HEM200 2.1 16.9 1.0 O D:CMO201 2.7 20.4 1.0 CE1 D:HIS92 2.9 9.8 1.0 C1D D:HEM200 3.0 19.1 1.0 C4D D:HEM200 3.0 14.4 1.0 C1B D:HEM200 3.0 16.0 1.0 C4B D:HEM200 3.1 8.6 1.0 C1C D:HEM200 3.1 7.4 1.0 C4C D:HEM200 3.1 18.6 1.0 C4A D:HEM200 3.1 22.7 1.0 C1A D:HEM200 3.1 22.0 1.0 CD2 D:HIS92 3.2 12.7 1.0 CHC D:HEM200 3.4 7.8 1.0 CHD D:HEM200 3.4 13.1 1.0 CHB D:HEM200 3.4 10.0 1.0 CHA D:HEM200 3.4 13.2 1.0 ND1 D:HIS92 4.1 10.4 1.0 C3D D:HEM200 4.2 13.2 1.0 C2D D:HEM200 4.2 20.3 1.0 CG D:HIS92 4.2 6.6 1.0 C2B D:HEM200 4.3 11.2 1.0 C3B D:HEM200 4.3 9.3 1.0 C2A D:HEM200 4.3 31.2 1.0 C3C D:HEM200 4.3 10.1 1.0 C2C D:HEM200 4.3 12.0 1.0 C3A D:HEM200 4.4 15.3 1.0 NE2 D:HIS63 4.4 19.1 1.0 CG2 D:VAL67 4.8 9.3 1.0

M.A.Schumacher, M.M.Dixon, R.Kluger, R.T.Jones, R.G.Brennan. Allosteric Transition Intermediates Modelled By Crosslinked Haemoglobins. Nature V. 375 84 1995.
ISSN: ISSN 0028-0836
PubMed: 7723849
DOI: 10.1038/375084A0