Iron in PDB 1c7b: Deoxy RHB1.0 (Recombinant Hemoglobin)

The structure of Deoxy RHB1.0 (Recombinant Hemoglobin), PDB code: 1c7b was solved by E.A.Brucker, 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	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.132, 83.579, 53.991, 90.00, 99.25, 90.00
R / Rfree (%)	18.8 / 23.4

The binding sites of Iron atom in the Deoxy RHB1.0 (Recombinant Hemoglobin) (pdb code 1c7b). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Deoxy RHB1.0 (Recombinant Hemoglobin), PDB code: 1c7b:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Deoxy RHB1.0 (Recombinant Hemoglobin)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Deoxy RHB1.0 (Recombinant Hemoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe150 b:11.4 occ:1.00 FE A:HEM150 0.0 11.4 1.0 ND A:HEM150 2.1 6.9 1.0 NA A:HEM150 2.1 10.9 1.0 NC A:HEM150 2.1 8.9 1.0 NB A:HEM150 2.1 12.2 1.0 NE2 A:HIS87 2.2 11.1 1.0 CE1 A:HIS87 3.0 9.5 1.0 C1B A:HEM150 3.1 15.3 1.0 C4D A:HEM150 3.1 10.4 1.0 C4A A:HEM150 3.1 13.4 1.0 C4B A:HEM150 3.1 13.2 1.0 C1A A:HEM150 3.1 15.8 1.0 C1C A:HEM150 3.1 10.3 1.0 C1D A:HEM150 3.1 8.2 1.0 C4C A:HEM150 3.1 10.6 1.0 CD2 A:HIS87 3.4 9.0 1.0 CHB A:HEM150 3.5 17.1 1.0 CHA A:HEM150 3.5 11.4 1.0 CHC A:HEM150 3.5 8.4 1.0 CHD A:HEM150 3.5 11.5 1.0 O A:HOH1001 3.7 18.5 1.0 ND1 A:HIS87 4.2 10.8 1.0 C2B A:HEM150 4.3 10.5 1.0 C3D A:HEM150 4.3 9.0 1.0 C2A A:HEM150 4.3 14.2 1.0 C3B A:HEM150 4.3 12.6 1.0 C3A A:HEM150 4.3 16.2 1.0 C2D A:HEM150 4.3 13.1 1.0 C2C A:HEM150 4.3 12.2 1.0 C3C A:HEM150 4.3 9.5 1.0 CG A:HIS87 4.4 7.7 1.0 CD1 A:LEU91 4.5 15.3 1.0 CE1 A:HIS58 4.6 21.1 1.0 NE2 A:HIS58 4.6 17.0 1.0

Iron binding site 2 out of 4 in the Deoxy RHB1.0 (Recombinant Hemoglobin)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Deoxy RHB1.0 (Recombinant Hemoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe150 b:9.8 occ:1.00 FE B:HEM150 0.0 9.8 1.0 NC B:HEM150 2.1 9.4 1.0 ND B:HEM150 2.1 10.7 1.0 NA B:HEM150 2.1 9.6 1.0 NB B:HEM150 2.1 12.8 1.0 NE2 B:HIS92 2.2 8.1 1.0 CE1 B:HIS92 3.0 11.2 1.0 C4D B:HEM150 3.1 15.4 1.0 C4C B:HEM150 3.1 8.0 1.0 C1A B:HEM150 3.1 11.4 1.0 C1D B:HEM150 3.1 13.4 1.0 C1C B:HEM150 3.1 13.9 1.0 C4B B:HEM150 3.1 10.7 1.0 C1B B:HEM150 3.1 10.6 1.0 C4A B:HEM150 3.1 10.6 1.0 CD2 B:HIS92 3.3 10.4 1.0 CHA B:HEM150 3.4 13.6 1.0 CHD B:HEM150 3.5 10.7 1.0 CHC B:HEM150 3.5 13.8 1.0 CHB B:HEM150 3.5 9.1 1.0 CG2 B:VAL67 4.1 13.2 1.0 ND1 B:HIS92 4.2 13.1 1.0 C2D B:HEM150 4.3 12.1 1.0 C3D B:HEM150 4.3 10.4 1.0 C2B B:HEM150 4.3 6.0 1.0 C2A B:HEM150 4.3 10.5 1.0 C2C B:HEM150 4.3 9.4 1.0 NE2 B:HIS63 4.3 14.5 1.0 C3B B:HEM150 4.3 13.4 1.0 C3A B:HEM150 4.3 10.8 1.0 C3C B:HEM150 4.3 7.9 1.0 CG B:HIS92 4.4 11.1 1.0 CE1 B:HIS63 4.6 18.9 1.0

Iron binding site 3 out of 4 in the Deoxy RHB1.0 (Recombinant Hemoglobin)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Deoxy RHB1.0 (Recombinant Hemoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe150 b:10.3 occ:1.00 FE C:HEM150 0.0 10.3 1.0 ND C:HEM150 2.1 7.5 1.0 NA C:HEM150 2.1 11.2 1.0 NC C:HEM150 2.1 7.7 1.0 NB C:HEM150 2.1 12.9 1.0 NE2 C:HIS87 2.2 9.4 1.0 CE1 C:HIS87 3.0 9.1 1.0 C4B C:HEM150 3.1 12.1 1.0 C1B C:HEM150 3.1 14.8 1.0 C4D C:HEM150 3.1 7.6 1.0 C4A C:HEM150 3.1 11.5 1.0 C1A C:HEM150 3.1 15.4 1.0 C1C C:HEM150 3.1 10.7 1.0 C4C C:HEM150 3.1 9.8 1.0 C1D C:HEM150 3.1 7.9 1.0 CD2 C:HIS87 3.4 8.4 1.0 CHB C:HEM150 3.5 17.2 1.0 CHA C:HEM150 3.5 10.8 1.0 CHC C:HEM150 3.5 8.0 1.0 CHD C:HEM150 3.5 11.0 1.0 O C:HOH1002 3.8 20.8 1.0 ND1 C:HIS87 4.2 12.1 1.0 C2B C:HEM150 4.3 11.3 1.0 C3B C:HEM150 4.3 10.8 1.0 C2A C:HEM150 4.3 14.9 1.0 C2C C:HEM150 4.3 13.0 1.0 C3A C:HEM150 4.3 13.7 1.0 C3D C:HEM150 4.3 9.3 1.0 C2D C:HEM150 4.3 12.3 1.0 C3C C:HEM150 4.3 8.4 1.0 CG C:HIS87 4.4 8.1 1.0 CE1 C:HIS58 4.4 20.4 1.0 NE2 C:HIS58 4.5 17.3 1.0 CD1 C:LEU91 4.5 15.0 1.0

Iron binding site 4 out of 4 in the Deoxy RHB1.0 (Recombinant Hemoglobin)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Deoxy RHB1.0 (Recombinant Hemoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe150 b:11.1 occ:1.00 FE D:HEM150 0.0 11.1 1.0 NC D:HEM150 2.1 9.3 1.0 ND D:HEM150 2.1 9.7 1.0 NB D:HEM150 2.1 14.3 1.0 NA D:HEM150 2.1 9.2 1.0 NE2 D:HIS92 2.2 9.4 1.0 CE1 D:HIS92 3.0 11.4 1.0 C4D D:HEM150 3.1 14.3 1.0 C4B D:HEM150 3.1 11.0 1.0 C1A D:HEM150 3.1 13.0 1.0 C4C D:HEM150 3.1 7.8 1.0 C1B D:HEM150 3.1 12.2 1.0 C1D D:HEM150 3.1 14.0 1.0 C1C D:HEM150 3.1 13.4 1.0 C4A D:HEM150 3.1 12.2 1.0 CD2 D:HIS92 3.3 9.9 1.0 CHA D:HEM150 3.4 13.1 1.0 CHD D:HEM150 3.5 10.4 1.0 CHB D:HEM150 3.5 8.6 1.0 CHC D:HEM150 3.5 13.5 1.0 ND1 D:HIS92 4.2 13.8 1.0 CG2 D:VAL67 4.2 14.1 1.0 C2B D:HEM150 4.3 7.9 1.0 C3B D:HEM150 4.3 12.9 1.0 C2D D:HEM150 4.3 13.1 1.0 C3D D:HEM150 4.3 10.2 1.0 C2A D:HEM150 4.3 11.6 1.0 C2C D:HEM150 4.3 10.6 1.0 C3A D:HEM150 4.3 13.0 1.0 C3C D:HEM150 4.3 8.5 1.0 NE2 D:HIS63 4.3 14.7 1.0 CG D:HIS92 4.4 10.7 1.0 CE1 D:HIS63 4.7 18.9 1.0 CD1 D:LEU96 4.9 14.2 1.0

E.A.Brucker, E.A.Brucker. N/A N/A.
ISSN: ISSN 0907-4449
PubMed: 10930828
DOI: 10.1107/S0907444900006557