Iron in PDB 1o1l: Deoxy Hemoglobin (A-Gly-C:V1M,L29W,H58Q; B,D:V1M)

The structure of Deoxy Hemoglobin (A-Gly-C:V1M,L29W,H58Q; B,D:V1M), PDB code: 1o1l 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 (°)	63.363, 83.185, 53.736, 90.00, 98.80, 90.00
R / Rfree (%)	20.5 / 25.4

The binding sites of Iron atom in the Deoxy Hemoglobin (A-Gly-C:V1M,L29W,H58Q; B,D:V1M) (pdb code 1o1l). 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-Gly-C:V1M,L29W,H58Q; B,D:V1M), PDB code: 1o1l:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Deoxy Hemoglobin (A-Gly-C:V1M,L29W,H58Q; 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-Gly-C:V1M,L29W,H58Q; B,D:V1M) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe284 b:13.9 occ:1.00 FE A:HEM284 0.0 13.9 1.0 ND A:HEM284 2.1 13.4 1.0 NC A:HEM284 2.1 16.8 1.0 NA A:HEM284 2.1 12.9 1.0 NB A:HEM284 2.1 15.9 1.0 NE2 A:HIS87 2.2 20.6 1.0 CE1 A:HIS87 3.0 12.9 1.0 C1B A:HEM284 3.1 21.6 1.0 C4A A:HEM284 3.1 14.2 1.0 C4B A:HEM284 3.1 17.6 1.0 C4D A:HEM284 3.1 16.3 1.0 C4C A:HEM284 3.1 11.4 1.0 C1C A:HEM284 3.1 15.0 1.0 C1A A:HEM284 3.1 18.1 1.0 C1D A:HEM284 3.1 15.8 1.0 CD2 A:HIS87 3.4 13.8 1.0 CHB A:HEM284 3.4 14.6 1.0 CHA A:HEM284 3.4 14.1 1.0 CHC A:HEM284 3.4 12.6 1.0 CHD A:HEM284 3.4 12.8 1.0 NE2 A:GLN58 4.1 19.5 1.0 ND1 A:HIS87 4.2 14.7 1.0 C2B A:HEM284 4.3 19.4 1.0 C3B A:HEM284 4.3 16.2 1.0 C3A A:HEM284 4.3 17.6 1.0 C3D A:HEM284 4.3 11.6 1.0 C2D A:HEM284 4.3 10.7 1.0 C2A A:HEM284 4.3 18.0 1.0 C2C A:HEM284 4.3 18.4 1.0 C3C A:HEM284 4.4 7.2 1.0 CD1 A:LEU91 4.4 20.9 1.0 CG A:HIS87 4.4 16.6 1.0 CH2 A:TRP29 4.6 12.8 1.0 CZ2 A:TRP29 4.7 18.0 1.0

Iron binding site 2 out of 4 in the Deoxy Hemoglobin (A-Gly-C:V1M,L29W,H58Q; 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-Gly-C:V1M,L29W,H58Q; B,D:V1M) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe285 b:13.3 occ:1.00 FE A:HEM285 0.0 13.3 1.0 ND A:HEM285 2.1 13.7 1.0 NC A:HEM285 2.1 9.9 1.0 NA A:HEM285 2.1 17.6 1.0 NB A:HEM285 2.1 15.3 1.0 NE2 A:HIS229 2.2 13.4 1.0 CE1 A:HIS229 3.0 12.7 1.0 C1B A:HEM285 3.1 13.2 1.0 C4A A:HEM285 3.1 13.7 1.0 C4D A:HEM285 3.1 9.9 1.0 C4B A:HEM285 3.1 7.7 1.0 C1C A:HEM285 3.1 13.2 1.0 C4C A:HEM285 3.1 10.9 1.0 C1D A:HEM285 3.1 14.6 1.0 C1A A:HEM285 3.1 17.9 1.0 CD2 A:HIS229 3.4 20.8 1.0 CHB A:HEM285 3.4 12.8 1.0 CHC A:HEM285 3.4 7.5 1.0 CHA A:HEM285 3.4 16.6 1.0 CHD A:HEM285 3.4 12.5 1.0 NE2 A:GLN200 4.0 21.3 1.0 ND1 A:HIS229 4.2 15.1 1.0 C2B A:HEM285 4.3 16.7 1.0 C3B A:HEM285 4.3 15.4 1.0 C2D A:HEM285 4.3 17.2 1.0 C2C A:HEM285 4.3 8.6 1.0 C3D A:HEM285 4.3 14.2 1.0 C3A A:HEM285 4.3 14.3 1.0 C2A A:HEM285 4.3 13.7 1.0 C3C A:HEM285 4.3 7.7 1.0 CG A:HIS229 4.4 15.6 1.0 CD1 A:LEU233 4.4 15.3 1.0 CZ2 A:TRP171 4.8 19.5 1.0 CH2 A:TRP171 4.9 10.9 1.0 CG2 A:VAL204 4.9 22.8 1.0

Iron binding site 3 out of 4 in the Deoxy Hemoglobin (A-Gly-C:V1M,L29W,H58Q; 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-Gly-C:V1M,L29W,H58Q; B,D:V1M) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:14.5 occ:1.00 FE B:HEM147 0.0 14.5 1.0 NC B:HEM147 2.1 13.9 1.0 NB B:HEM147 2.1 15.0 1.0 ND B:HEM147 2.1 13.9 1.0 NA B:HEM147 2.1 16.4 1.0 NE2 B:HIS92 2.2 10.5 1.0 CE1 B:HIS92 3.0 14.1 1.0 C4D B:HEM147 3.1 16.6 1.0 C4C B:HEM147 3.1 12.3 1.0 C1D B:HEM147 3.1 15.7 1.0 C4B B:HEM147 3.1 13.3 1.0 C1B B:HEM147 3.1 17.6 1.0 C1C B:HEM147 3.1 14.5 1.0 C1A B:HEM147 3.1 21.6 1.0 C4A B:HEM147 3.1 17.7 1.0 CD2 B:HIS92 3.3 20.6 1.0 CHA B:HEM147 3.4 24.1 1.0 CHD B:HEM147 3.4 20.6 1.0 CHC B:HEM147 3.4 13.2 1.0 CHB B:HEM147 3.4 20.6 1.0 ND1 B:HIS92 4.2 20.3 1.0 CG2 B:VAL67 4.2 19.7 1.0 NE2 B:HIS63 4.3 26.8 1.0 C2D B:HEM147 4.3 15.0 1.0 C2B B:HEM147 4.3 11.1 1.0 C3D B:HEM147 4.3 16.2 1.0 C2A B:HEM147 4.3 23.3 1.0 C2C B:HEM147 4.3 14.5 1.0 C3B B:HEM147 4.3 16.6 1.0 C3A B:HEM147 4.3 20.7 1.0 C3C B:HEM147 4.3 12.9 1.0 CG B:HIS92 4.4 19.5 1.0 CE1 B:HIS63 4.7 28.4 1.0 CD1 B:LEU96 4.9 16.2 1.0

Iron binding site 4 out of 4 in the Deoxy Hemoglobin (A-Gly-C:V1M,L29W,H58Q; 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-Gly-C:V1M,L29W,H58Q; B,D:V1M) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:12.6 occ:1.00 FE D:HEM147 0.0 12.6 1.0 ND D:HEM147 2.1 15.0 1.0 NA D:HEM147 2.1 17.6 1.0 NC D:HEM147 2.1 11.6 1.0 NB D:HEM147 2.1 13.4 1.0 NE2 D:HIS92 2.2 14.2 1.0 CE1 D:HIS92 3.0 11.9 1.0 C4A D:HEM147 3.1 14.7 1.0 C4D D:HEM147 3.1 14.7 1.0 C1A D:HEM147 3.1 11.0 1.0 C4C D:HEM147 3.1 10.1 1.0 C1B D:HEM147 3.1 13.7 1.0 C4B D:HEM147 3.1 11.6 1.0 C1D D:HEM147 3.1 18.6 1.0 C1C D:HEM147 3.1 8.1 1.0 CD2 D:HIS92 3.3 17.8 1.0 CHA D:HEM147 3.4 9.5 1.0 CHB D:HEM147 3.4 12.6 1.0 CHD D:HEM147 3.4 15.4 1.0 CHC D:HEM147 3.4 6.1 1.0 ND1 D:HIS92 4.2 16.3 1.0 CG2 D:VAL67 4.2 21.9 1.0 C2B D:HEM147 4.3 9.2 1.0 C3D D:HEM147 4.3 17.4 1.0 C2D D:HEM147 4.3 15.5 1.0 C3B D:HEM147 4.3 10.5 1.0 C3A D:HEM147 4.3 14.5 1.0 C2A D:HEM147 4.3 14.3 1.0 C2C D:HEM147 4.3 9.8 1.0 C3C D:HEM147 4.3 9.7 1.0 CG D:HIS92 4.4 12.4 1.0 NE2 D:HIS63 4.4 25.0 1.0 CE1 D:HIS63 4.5 18.3 1.0 CD1 D:LEU96 5.0 17.4 1.0

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