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

The structure of Cross-Linked, Carbonmonoxy Hemoglobin A, PDB code: 1sdl 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)	N/A / 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 1sdl). 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: 1sdl:
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:7.2 occ:1.00 FE A:HEM200 0.0 7.2 1.0 C A:CMO201 1.7 1.0 1.0 NE2 A:HIS87 2.0 6.8 1.0 NB A:HEM200 2.0 8.0 1.0 ND A:HEM200 2.0 7.7 1.0 NA A:HEM200 2.0 6.6 1.0 NC A:HEM200 2.1 5.0 1.0 O A:CMO201 2.9 12.6 1.0 CE1 A:HIS87 2.9 14.1 1.0 C4B A:HEM200 3.0 9.4 1.0 C1A A:HEM200 3.1 7.3 1.0 C4D A:HEM200 3.1 10.2 1.0 C1B A:HEM200 3.1 8.0 1.0 C1D A:HEM200 3.1 30.1 1.0 CD2 A:HIS87 3.1 11.4 1.0 C4A A:HEM200 3.1 13.6 1.0 C1C A:HEM200 3.1 5.6 1.0 C4C A:HEM200 3.1 13.0 1.0 CHA A:HEM200 3.4 7.6 1.0 CHC A:HEM200 3.4 4.9 1.0 CHD A:HEM200 3.4 11.2 1.0 CHB A:HEM200 3.5 5.1 1.0 ND1 A:HIS87 4.1 7.8 1.0 CG A:HIS87 4.2 4.4 1.0 C3B A:HEM200 4.3 8.8 1.0 C2B A:HEM200 4.3 14.4 1.0 C2A A:HEM200 4.3 19.7 1.0 C3D A:HEM200 4.3 18.9 1.0 C3A A:HEM200 4.3 13.8 1.0 C2D A:HEM200 4.3 10.7 1.0 C2C A:HEM200 4.3 3.2 1.0 C3C A:HEM200 4.3 2.8 1.0 NE2 A:HIS58 4.4 18.9 1.0 CG2 A:VAL62 4.9 9.4 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:9.2 occ:1.00 FE B:HEM200 0.0 9.2 1.0 C B:CMO201 1.8 1.3 1.0 NC B:HEM200 2.0 4.6 1.0 ND B:HEM200 2.0 5.2 1.0 NA B:HEM200 2.0 12.1 1.0 NB B:HEM200 2.1 2.4 1.0 NE2 B:HIS92 2.1 7.9 1.0 O B:CMO201 2.9 15.8 1.0 C1C B:HEM200 3.0 9.0 1.0 CE1 B:HIS92 3.0 1.0 1.0 C4C B:HEM200 3.0 7.8 1.0 C1D B:HEM200 3.0 17.5 1.0 C4D B:HEM200 3.1 7.9 1.0 C1A B:HEM200 3.1 8.2 1.0 C4B B:HEM200 3.1 9.4 1.0 C4A B:HEM200 3.1 8.6 1.0 C1B B:HEM200 3.1 14.6 1.0 CD2 B:HIS92 3.3 7.6 1.0 CHC B:HEM200 3.4 1.0 1.0 CHD B:HEM200 3.4 4.8 1.0 CHA B:HEM200 3.4 7.4 1.0 CHB B:HEM200 3.5 9.7 1.0 ND1 B:HIS92 4.2 5.4 1.0 C3C B:HEM200 4.2 7.2 1.0 C2C B:HEM200 4.2 15.7 1.0 C3D B:HEM200 4.3 8.7 1.0 C2D B:HEM200 4.3 3.6 1.0 C2A B:HEM200 4.3 7.5 1.0 CG B:HIS92 4.3 5.8 1.0 C3A B:HEM200 4.3 11.6 1.0 C3B B:HEM200 4.3 9.0 1.0 C2B B:HEM200 4.3 5.9 1.0 NE2 B:HIS63 4.4 18.5 1.0 CG2 B:VAL67 4.8 7.4 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:10.1 occ:1.00 FE C:HEM200 0.0 10.1 1.0 C C:CMO201 1.9 7.0 1.0 NA C:HEM200 2.0 11.6 1.0 NE2 C:HIS87 2.0 2.6 1.0 NB C:HEM200 2.0 4.6 1.0 ND C:HEM200 2.0 10.8 1.0 NC C:HEM200 2.1 5.5 1.0 CE1 C:HIS87 3.0 15.9 1.0 O C:CMO201 3.0 21.0 1.0 CD2 C:HIS87 3.0 7.9 1.0 C1A C:HEM200 3.0 11.9 1.0 C4B C:HEM200 3.0 6.7 1.0 C4A C:HEM200 3.0 17.5 1.0 C4D C:HEM200 3.1 9.7 1.0 C1B C:HEM200 3.1 11.0 1.0 C1C C:HEM200 3.1 11.8 1.0 C4C C:HEM200 3.1 8.0 1.0 C1D C:HEM200 3.1 9.0 1.0 CHC C:HEM200 3.4 6.5 1.0 CHA C:HEM200 3.4 5.4 1.0 CHB C:HEM200 3.4 11.8 1.0 CHD C:HEM200 3.5 11.1 1.0 ND1 C:HIS87 4.2 6.8 1.0 CG C:HIS87 4.2 5.0 1.0 C3B C:HEM200 4.2 4.5 1.0 C2A C:HEM200 4.2 15.6 1.0 C3A C:HEM200 4.3 20.9 1.0 C2B C:HEM200 4.3 6.4 1.0 C3D C:HEM200 4.3 14.2 1.0 C2D C:HEM200 4.3 8.5 1.0 NE2 C:HIS58 4.3 18.1 1.0 C3C C:HEM200 4.3 4.3 1.0 C2C C:HEM200 4.3 5.9 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:9.5 occ:1.00 FE D:HEM200 0.0 9.5 1.0 C D:CMO201 1.7 5.9 1.0 NC D:HEM200 2.0 4.7 1.0 ND D:HEM200 2.0 11.6 1.0 NB D:HEM200 2.1 8.2 1.0 NA D:HEM200 2.1 4.5 1.0 NE2 D:HIS92 2.1 7.0 1.0 O D:CMO201 2.8 13.4 1.0 CE1 D:HIS92 2.9 7.2 1.0 C1C D:HEM200 3.0 2.1 1.0 C4C D:HEM200 3.0 14.5 1.0 C4D D:HEM200 3.0 8.9 1.0 C1D D:HEM200 3.0 7.6 1.0 C1A D:HEM200 3.1 13.0 1.0 C4B D:HEM200 3.1 7.9 1.0 C1B D:HEM200 3.1 6.8 1.0 C4A D:HEM200 3.1 10.1 1.0 CD2 D:HIS92 3.2 10.6 1.0 CHC D:HEM200 3.4 9.0 1.0 CHA D:HEM200 3.4 6.0 1.0 CHD D:HEM200 3.4 8.0 1.0 CHB D:HEM200 3.5 10.8 1.0 ND1 D:HIS92 4.1 8.2 1.0 C2C D:HEM200 4.2 5.2 1.0 C3C D:HEM200 4.2 3.9 1.0 CG D:HIS92 4.3 6.0 1.0 C3D D:HEM200 4.3 8.9 1.0 C2D D:HEM200 4.3 15.3 1.0 C2A D:HEM200 4.3 14.3 1.0 C3A D:HEM200 4.3 11.7 1.0 C2B D:HEM200 4.3 9.3 1.0 C3B D:HEM200 4.3 4.4 1.0 NE2 D:HIS63 4.4 14.7 1.0 CG2 D:VAL67 4.7 9.9 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