Iron in PDB 1o1k: Deoxy Hemoglobin (A,C:V1M; B,D:V1M,V67W)

The structure of Deoxy Hemoglobin (A,C:V1M; B,D:V1M,V67W), PDB code: 1o1k 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 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.470, 83.627, 53.644, 90.00, 99.10, 90.00
R / Rfree (%)	21.6 / 24.9

The binding sites of Iron atom in the Deoxy Hemoglobin (A,C:V1M; B,D:V1M,V67W) (pdb code 1o1k). 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 Hemoglobin (A,C:V1M; B,D:V1M,V67W), PDB code: 1o1k:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Deoxy Hemoglobin (A,C:V1M; B,D:V1M,V67W)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Deoxy Hemoglobin (A,C:V1M; B,D:V1M,V67W) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe150 b:12.9 occ:1.00 FE A:HEM150 0.0 12.9 1.0 NE2 A:HIS87 2.0 8.4 1.0 ND A:HEM150 2.0 9.9 1.0 NB A:HEM150 2.0 9.5 1.0 NC A:HEM150 2.0 10.2 1.0 NA A:HEM150 2.0 13.6 1.0 CE1 A:HIS87 3.0 9.7 1.0 C4D A:HEM150 3.0 7.4 1.0 C1B A:HEM150 3.1 10.7 1.0 C1D A:HEM150 3.1 9.7 1.0 C4B A:HEM150 3.1 11.2 1.0 C1C A:HEM150 3.1 10.5 1.0 C1A A:HEM150 3.1 14.2 1.0 C4C A:HEM150 3.1 6.8 1.0 C4A A:HEM150 3.1 14.7 1.0 CD2 A:HIS87 3.1 5.6 1.0 CHA A:HEM150 3.4 10.2 1.0 CHC A:HEM150 3.4 9.5 1.0 CHD A:HEM150 3.4 6.1 1.0 CHB A:HEM150 3.4 10.9 1.0 O A:HOH1001 3.8 28.4 1.0 ND1 A:HIS87 4.1 5.0 1.0 CG A:HIS87 4.2 6.7 1.0 C3D A:HEM150 4.3 10.2 1.0 C2B A:HEM150 4.3 9.0 1.0 C2D A:HEM150 4.3 6.7 1.0 C2C A:HEM150 4.3 8.4 1.0 C3B A:HEM150 4.3 6.2 1.0 C3C A:HEM150 4.3 8.6 1.0 C2A A:HEM150 4.3 12.7 1.0 C3A A:HEM150 4.3 14.6 1.0 CD1 A:LEU91 4.4 12.6 1.0 CE1 A:HIS58 4.6 10.6 1.0 NE2 A:HIS58 4.7 12.7 1.0

Iron binding site 2 out of 4 in the Deoxy Hemoglobin (A,C:V1M; B,D:V1M,V67W)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Deoxy Hemoglobin (A,C:V1M; B,D:V1M,V67W) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe150 b:13.0 occ:1.00 FE B:HEM150 0.0 13.0 1.0 NC B:HEM150 2.0 7.7 1.0 ND B:HEM150 2.0 9.7 1.0 NA B:HEM150 2.0 9.3 1.0 NB B:HEM150 2.0 9.1 1.0 NE2 B:HIS92 2.0 12.9 1.0 CE1 B:HIS92 3.0 12.1 1.0 C1A B:HEM150 3.0 12.5 1.0 C4C B:HEM150 3.0 5.5 1.0 C4D B:HEM150 3.0 8.2 1.0 C1D B:HEM150 3.0 5.9 1.0 C1C B:HEM150 3.0 8.0 1.0 C4A B:HEM150 3.0 9.8 1.0 C1B B:HEM150 3.0 8.8 1.0 C4B B:HEM150 3.1 8.9 1.0 CD2 B:HIS92 3.1 11.5 1.0 CHA B:HEM150 3.4 8.9 1.0 CHD B:HEM150 3.4 8.7 1.0 CHC B:HEM150 3.4 7.2 1.0 CHB B:HEM150 3.4 11.7 1.0 O B:HOH1002 3.8 30.2 1.0 ND1 B:HIS92 4.2 13.4 1.0 CG B:HIS92 4.2 12.3 1.0 C2D B:HEM150 4.3 11.3 1.0 C2A B:HEM150 4.3 11.3 1.0 C3D B:HEM150 4.3 6.9 1.0 C3C B:HEM150 4.3 4.0 1.0 C2C B:HEM150 4.3 5.9 1.0 C3A B:HEM150 4.3 11.4 1.0 C2B B:HEM150 4.3 9.7 1.0 C3B B:HEM150 4.3 10.9 1.0 NE2 B:HIS63 4.4 23.9 1.0 CE1 B:HIS63 4.5 27.6 1.0 CB B:TRP67 4.9 15.9 1.0 CD1 B:LEU96 5.0 7.1 1.0

Iron binding site 3 out of 4 in the Deoxy Hemoglobin (A,C:V1M; B,D:V1M,V67W)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Deoxy Hemoglobin (A,C:V1M; B,D:V1M,V67W) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe150 b:12.8 occ:1.00 FE C:HEM150 0.0 12.8 1.0 NA C:HEM150 2.0 14.6 1.0 ND C:HEM150 2.0 7.4 1.0 NB C:HEM150 2.0 14.0 1.0 NC C:HEM150 2.0 8.8 1.0 NE2 C:HIS87 2.0 9.7 1.0 CE1 C:HIS87 3.0 9.1 1.0 C1A C:HEM150 3.0 13.7 1.0 C4D C:HEM150 3.0 7.2 1.0 C4A C:HEM150 3.0 14.0 1.0 C1B C:HEM150 3.0 11.7 1.0 C1D C:HEM150 3.1 6.6 1.0 C4B C:HEM150 3.1 9.2 1.0 C1C C:HEM150 3.1 4.7 1.0 C4C C:HEM150 3.1 7.4 1.0 CD2 C:HIS87 3.1 5.0 1.0 CHA C:HEM150 3.4 9.8 1.0 CHB C:HEM150 3.4 14.7 1.0 O C:HOH1003 3.4 23.2 1.0 CHC C:HEM150 3.4 7.4 1.0 CHD C:HEM150 3.4 6.2 1.0 ND1 C:HIS87 4.2 10.9 1.0 CG C:HIS87 4.3 9.8 1.0 C2A C:HEM150 4.3 16.4 1.0 C3A C:HEM150 4.3 12.5 1.0 C3D C:HEM150 4.3 10.4 1.0 C2B C:HEM150 4.3 11.0 1.0 C2D C:HEM150 4.3 8.7 1.0 C3B C:HEM150 4.3 12.6 1.0 C2C C:HEM150 4.3 7.9 1.0 C3C C:HEM150 4.3 9.1 1.0 CD1 C:LEU91 4.5 12.7 1.0 CE1 C:HIS58 4.5 10.2 1.0 NE2 C:HIS58 4.7 14.2 1.0

Iron binding site 4 out of 4 in the Deoxy Hemoglobin (A,C:V1M; B,D:V1M,V67W)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Deoxy Hemoglobin (A,C:V1M; B,D:V1M,V67W) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe150 b:13.5 occ:1.00 FE D:HEM150 0.0 13.5 1.0 NB D:HEM150 2.0 12.7 1.0 NC D:HEM150 2.0 10.0 1.0 NA D:HEM150 2.0 12.8 1.0 ND D:HEM150 2.0 11.4 1.0 NE2 D:HIS92 2.0 11.1 1.0 CE1 D:HIS92 3.0 8.5 1.0 C1B D:HEM150 3.0 11.6 1.0 C1C D:HEM150 3.0 11.7 1.0 C4B D:HEM150 3.0 10.6 1.0 C4A D:HEM150 3.0 14.3 1.0 C1A D:HEM150 3.0 14.7 1.0 C4C D:HEM150 3.0 8.4 1.0 C1D D:HEM150 3.0 12.5 1.0 C4D D:HEM150 3.1 10.4 1.0 CD2 D:HIS92 3.1 12.6 1.0 CHB D:HEM150 3.4 10.3 1.0 CHC D:HEM150 3.4 7.8 1.0 CHA D:HEM150 3.4 9.2 1.0 CHD D:HEM150 3.4 11.0 1.0 O D:HOH1004 3.8 21.6 1.0 ND1 D:HIS92 4.2 13.8 1.0 CG D:HIS92 4.2 12.2 1.0 C2B D:HEM150 4.3 12.3 1.0 C3B D:HEM150 4.3 11.7 1.0 C3A D:HEM150 4.3 13.7 1.0 C2A D:HEM150 4.3 15.8 1.0 C2C D:HEM150 4.3 9.4 1.0 C3C D:HEM150 4.3 6.8 1.0 C2D D:HEM150 4.3 15.2 1.0 C3D D:HEM150 4.3 12.5 1.0 NE2 D:HIS63 4.4 25.1 1.0 CE1 D:HIS63 4.5 25.4 1.0 CB D:TRP67 4.9 11.0 1.0

E.A.Brucker, N/A. N/A N/A.