Iron in PDB 1o1n: Deoxy Hemoglobin (A-Glyglygly-C:V1M,L29W; B,D:V1M)

The structure of Deoxy Hemoglobin (A-Glyglygly-C:V1M,L29W; B,D:V1M), PDB code: 1o1n 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 (°)	63.229, 83.134, 53.798, 90.00, 98.96, 90.00
R / Rfree (%)	18.9 / 24.2

The binding sites of Iron atom in the Deoxy Hemoglobin (A-Glyglygly-C:V1M,L29W; B,D:V1M) (pdb code 1o1n). 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-Glyglygly-C:V1M,L29W; B,D:V1M), PDB code: 1o1n:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Deoxy Hemoglobin (A-Glyglygly-C:V1M,L29W; B,D:V1M)


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-Glyglygly-C:V1M,L29W; B,D:V1M) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe286 b:19.9 occ:1.00 FE A:HEM286 0.0 19.9 1.0 ND A:HEM286 2.1 16.9 1.0 NC A:HEM286 2.1 16.6 1.0 NA A:HEM286 2.1 21.2 1.0 NB A:HEM286 2.1 18.8 1.0 NE2 A:HIS87 2.2 16.1 1.0 CE1 A:HIS87 3.0 17.1 1.0 C1B A:HEM286 3.1 19.3 1.0 C4D A:HEM286 3.1 16.9 1.0 C4A A:HEM286 3.1 19.4 1.0 C1C A:HEM286 3.1 20.0 1.0 C4C A:HEM286 3.1 16.6 1.0 C4B A:HEM286 3.1 17.1 1.0 C1D A:HEM286 3.1 18.7 1.0 C1A A:HEM286 3.1 17.8 1.0 CD2 A:HIS87 3.3 18.4 1.0 CHB A:HEM286 3.4 20.1 1.0 CHA A:HEM286 3.4 17.7 1.0 CHC A:HEM286 3.4 15.4 1.0 CHD A:HEM286 3.4 21.4 1.0 ND1 A:HIS87 4.2 20.7 1.0 C2B A:HEM286 4.3 17.9 1.0 C3D A:HEM286 4.3 15.4 1.0 C2D A:HEM286 4.3 21.0 1.0 C2C A:HEM286 4.3 18.7 1.0 C3A A:HEM286 4.3 19.7 1.0 C3B A:HEM286 4.3 18.1 1.0 C2A A:HEM286 4.3 20.9 1.0 C3C A:HEM286 4.4 16.3 1.0 CG A:HIS87 4.4 18.0 1.0 CD1 A:LEU91 4.5 21.7 1.0 CE1 A:HIS58 4.6 27.1 1.0 CH2 A:TRP29 4.7 17.6 1.0 CZ2 A:TRP29 4.8 22.4 1.0 NE2 A:HIS58 4.9 22.7 1.0 CG2 A:VAL62 5.0 18.1 1.0

Iron binding site 2 out of 4 in the Deoxy Hemoglobin (A-Glyglygly-C:V1M,L29W; B,D:V1M)


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-Glyglygly-C:V1M,L29W; B,D:V1M) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe287 b:18.1 occ:1.00 FE A:HEM287 0.0 18.1 1.0 ND A:HEM287 2.0 17.1 1.0 NA A:HEM287 2.1 20.9 1.0 NC A:HEM287 2.1 16.0 1.0 NB A:HEM287 2.1 20.1 1.0 NE2 A:HIS231 2.2 15.5 1.0 CE1 A:HIS231 3.0 17.2 1.0 C4D A:HEM287 3.1 15.1 1.0 C1B A:HEM287 3.1 17.5 1.0 C4A A:HEM287 3.1 20.0 1.0 C1A A:HEM287 3.1 17.3 1.0 C4C A:HEM287 3.1 16.8 1.0 C1D A:HEM287 3.1 17.9 1.0 C1C A:HEM287 3.1 19.3 1.0 C4B A:HEM287 3.1 14.9 1.0 CD2 A:HIS231 3.3 18.1 1.0 CHA A:HEM287 3.4 17.7 1.0 CHB A:HEM287 3.4 20.2 1.0 CHC A:HEM287 3.4 14.2 1.0 CHD A:HEM287 3.4 19.7 1.0 ND1 A:HIS231 4.2 20.4 1.0 C2B A:HEM287 4.3 18.0 1.0 C3D A:HEM287 4.3 16.4 1.0 C2D A:HEM287 4.3 21.8 1.0 C2A A:HEM287 4.3 18.7 1.0 C3B A:HEM287 4.3 17.3 1.0 C3A A:HEM287 4.3 19.2 1.0 C2C A:HEM287 4.3 19.0 1.0 C3C A:HEM287 4.3 15.7 1.0 CG A:HIS231 4.4 17.0 1.0 CE1 A:HIS202 4.4 27.6 1.0 CD1 A:LEU235 4.6 21.3 1.0 NE2 A:HIS202 4.7 22.3 1.0 CH2 A:TRP173 4.8 16.5 1.0 CZ2 A:TRP173 4.9 21.8 1.0 CG2 A:VAL206 4.9 19.0 1.0

Iron binding site 3 out of 4 in the Deoxy Hemoglobin (A-Glyglygly-C:V1M,L29W; B,D:V1M)


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-Glyglygly-C:V1M,L29W; B,D:V1M) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:20.3 occ:1.00 FE B:HEM147 0.0 20.3 1.0 NC B:HEM147 2.1 19.1 1.0 ND B:HEM147 2.1 19.0 1.0 NB B:HEM147 2.1 19.2 1.0 NA B:HEM147 2.1 19.0 1.0 NE2 B:HIS92 2.2 14.9 1.0 CE1 B:HIS92 3.0 17.2 1.0 C1B B:HEM147 3.1 21.1 1.0 C4D B:HEM147 3.1 22.4 1.0 C4B B:HEM147 3.1 23.2 1.0 C1A B:HEM147 3.1 24.4 1.0 C1C B:HEM147 3.1 17.4 1.0 C4A B:HEM147 3.1 20.6 1.0 C4C B:HEM147 3.1 17.6 1.0 C1D B:HEM147 3.1 19.4 1.0 CD2 B:HIS92 3.2 20.4 1.0 CHA B:HEM147 3.4 23.8 1.0 CHB B:HEM147 3.4 20.0 1.0 CHC B:HEM147 3.4 19.9 1.0 CHD B:HEM147 3.4 19.9 1.0 ND1 B:HIS92 4.2 20.8 1.0 CG2 B:VAL67 4.3 28.9 1.0 NE2 B:HIS63 4.3 32.7 1.0 C2B B:HEM147 4.3 16.8 1.0 C3D B:HEM147 4.3 19.1 1.0 C2A B:HEM147 4.3 26.7 1.0 C3B B:HEM147 4.3 19.9 1.0 C2C B:HEM147 4.3 20.3 1.0 C3A B:HEM147 4.3 25.1 1.0 C2D B:HEM147 4.3 20.6 1.0 CG B:HIS92 4.3 18.2 1.0 C3C B:HEM147 4.3 18.9 1.0 CE1 B:HIS63 4.4 36.8 1.0

Iron binding site 4 out of 4 in the Deoxy Hemoglobin (A-Glyglygly-C:V1M,L29W; B,D:V1M)


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-Glyglygly-C:V1M,L29W; B,D:V1M) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:17.9 occ:1.00 FE D:HEM147 0.0 17.9 1.0 NC D:HEM147 2.1 18.1 1.0 ND D:HEM147 2.1 16.9 1.0 NB D:HEM147 2.1 18.5 1.0 NA D:HEM147 2.1 16.0 1.0 NE2 D:HIS92 2.2 15.1 1.0 CE1 D:HIS92 3.0 14.8 1.0 C4D D:HEM147 3.1 21.6 1.0 C1B D:HEM147 3.1 22.4 1.0 C4B D:HEM147 3.1 23.6 1.0 C4A D:HEM147 3.1 21.3 1.0 C1C D:HEM147 3.1 16.2 1.0 C1A D:HEM147 3.1 23.6 1.0 C4C D:HEM147 3.1 16.5 1.0 C1D D:HEM147 3.1 18.6 1.0 CD2 D:HIS92 3.3 19.3 1.0 CHA D:HEM147 3.4 22.6 1.0 CHB D:HEM147 3.4 18.9 1.0 CHC D:HEM147 3.4 17.6 1.0 CHD D:HEM147 3.4 19.6 1.0 ND1 D:HIS92 4.2 20.0 1.0 C2B D:HEM147 4.3 14.7 1.0 C3D D:HEM147 4.3 17.4 1.0 C2D D:HEM147 4.3 20.5 1.0 C3B D:HEM147 4.3 18.8 1.0 NE2 D:HIS63 4.3 32.7 1.0 C2C D:HEM147 4.3 19.3 1.0 C3A D:HEM147 4.3 23.5 1.0 C2A D:HEM147 4.3 26.7 1.0 C3C D:HEM147 4.3 18.2 1.0 CG D:HIS92 4.3 18.4 1.0 CG2 D:VAL67 4.4 28.2 1.0 CD1 D:LEU96 4.8 18.2 1.0 CE1 D:HIS63 4.9 36.9 1.0

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