Iron in PDB 1bz1: Hemoglobin (Alpha + Met) Variant

The structure of Hemoglobin (Alpha + Met) Variant, PDB code: 1bz1 was solved by J.S.Kavanaugh, A.Arnone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.59
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.300, 83.600, 53.800, 90.00, 99.40, 90.00
R / Rfree (%)	17.2 / 22.6

The binding sites of Iron atom in the Hemoglobin (Alpha + Met) Variant (pdb code 1bz1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Hemoglobin (Alpha + Met) Variant, PDB code: 1bz1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Hemoglobin (Alpha + Met) Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hemoglobin (Alpha + Met) Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:13.8 occ:1.00 FE A:HEM143 0.0 13.8 1.0 ND A:HEM143 2.0 12.5 1.0 NA A:HEM143 2.1 13.3 1.0 NC A:HEM143 2.1 12.0 1.0 NB A:HEM143 2.1 12.1 1.0 NE2 A:HIS88 2.3 10.1 1.0 C1D A:HEM143 3.1 11.5 1.0 C4D A:HEM143 3.1 14.3 1.0 C4B A:HEM143 3.1 12.9 1.0 C1B A:HEM143 3.1 12.4 1.0 C1A A:HEM143 3.1 14.8 1.0 C4A A:HEM143 3.1 16.5 1.0 C4C A:HEM143 3.1 11.0 1.0 C1C A:HEM143 3.1 13.6 1.0 CE1 A:HIS88 3.1 7.7 1.0 CD2 A:HIS88 3.3 9.4 1.0 CHB A:HEM143 3.5 16.5 1.0 O A:HOH222 3.5 22.4 1.0 CHC A:HEM143 3.5 11.3 1.0 CHA A:HEM143 3.5 12.2 1.0 CHD A:HEM143 3.5 12.3 1.0 C3D A:HEM143 4.3 12.0 1.0 C2D A:HEM143 4.3 14.2 1.0 C3B A:HEM143 4.3 14.3 1.0 ND1 A:HIS88 4.3 12.2 1.0 C2A A:HEM143 4.3 16.0 1.0 C2B A:HEM143 4.3 12.3 1.0 C2C A:HEM143 4.3 11.3 1.0 C3C A:HEM143 4.3 12.6 1.0 C3A A:HEM143 4.3 15.6 1.0 CD1 A:LEU92 4.4 10.3 1.0 CG A:HIS88 4.4 10.5 1.0 NE2 A:HIS59 4.5 15.2 1.0 CE1 A:HIS59 4.6 21.8 1.0

Iron binding site 2 out of 4 in the Hemoglobin (Alpha + Met) Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hemoglobin (Alpha + Met) Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:12.8 occ:1.00 FE B:HEM147 0.0 12.8 1.0 NA B:HEM147 2.0 13.7 1.0 NC B:HEM147 2.0 12.8 1.0 ND B:HEM147 2.1 15.2 1.0 NB B:HEM147 2.1 9.6 1.0 NE2 B:HIS92 2.2 8.2 1.0 CE1 B:HIS92 3.1 10.0 1.0 C4A B:HEM147 3.1 12.1 1.0 C1A B:HEM147 3.1 17.2 1.0 C1D B:HEM147 3.1 13.0 1.0 C1B B:HEM147 3.1 11.3 1.0 C4C B:HEM147 3.1 10.5 1.0 C4D B:HEM147 3.1 12.9 1.0 C4B B:HEM147 3.1 11.3 1.0 C1C B:HEM147 3.1 13.1 1.0 CD2 B:HIS92 3.3 9.9 1.0 CHB B:HEM147 3.4 14.1 1.0 CHD B:HEM147 3.4 11.8 1.0 CHC B:HEM147 3.5 10.0 1.0 CHA B:HEM147 3.5 10.6 1.0 CG2 B:VAL67 4.1 10.9 1.0 NE2 B:HIS63 4.1 16.8 1.0 ND1 B:HIS92 4.2 10.1 1.0 C2A B:HEM147 4.3 16.7 1.0 C3D B:HEM147 4.3 10.9 1.0 C3A B:HEM147 4.3 13.3 1.0 C3B B:HEM147 4.3 11.5 1.0 C2D B:HEM147 4.3 10.5 1.0 C2C B:HEM147 4.3 11.6 1.0 C2B B:HEM147 4.3 9.4 1.0 C3C B:HEM147 4.3 11.2 1.0 CG B:HIS92 4.4 11.5 1.0 CE1 B:HIS63 4.4 17.9 1.0 CD1 B:LEU96 5.0 11.2 1.0

Iron binding site 3 out of 4 in the Hemoglobin (Alpha + Met) Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Hemoglobin (Alpha + Met) Variant within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe143 b:13.0 occ:1.00 FE C:HEM143 0.0 13.0 1.0 NC C:HEM143 2.0 9.3 1.0 ND C:HEM143 2.1 9.0 1.0 NB C:HEM143 2.1 12.2 1.0 NA C:HEM143 2.1 13.4 1.0 NE2 C:HIS88 2.2 8.7 1.0 CE1 C:HIS88 3.0 7.3 1.0 C1D C:HEM143 3.1 9.8 1.0 C4B C:HEM143 3.1 11.7 1.0 C1A C:HEM143 3.1 12.0 1.0 C1C C:HEM143 3.1 10.5 1.0 C4D C:HEM143 3.1 8.4 1.0 C4C C:HEM143 3.1 9.8 1.0 C1B C:HEM143 3.1 14.7 1.0 C4A C:HEM143 3.1 12.9 1.0 CD2 C:HIS88 3.2 8.7 1.0 CHC C:HEM143 3.4 8.2 1.0 CHA C:HEM143 3.4 8.8 1.0 CHD C:HEM143 3.5 12.6 1.0 CHB C:HEM143 3.5 14.9 1.0 O C:HOH356 3.6 19.1 1.0 ND1 C:HIS88 4.2 11.4 1.0 C3D C:HEM143 4.3 10.8 1.0 C2D C:HEM143 4.3 15.2 1.0 C2A C:HEM143 4.3 12.0 1.0 C3B C:HEM143 4.3 12.1 1.0 C2C C:HEM143 4.3 11.3 1.0 C3C C:HEM143 4.3 9.8 1.0 C2B C:HEM143 4.3 13.6 1.0 C3A C:HEM143 4.3 14.2 1.0 CG C:HIS88 4.4 9.6 1.0 NE2 C:HIS59 4.4 14.5 1.0 CD1 C:LEU92 4.5 12.9 1.0 CE1 C:HIS59 4.6 15.8 1.0

Iron binding site 4 out of 4 in the Hemoglobin (Alpha + Met) Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Hemoglobin (Alpha + Met) Variant within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:13.1 occ:1.00 FE D:HEM147 0.0 13.1 1.0 NA D:HEM147 2.0 14.1 1.0 ND D:HEM147 2.0 10.9 1.0 NC D:HEM147 2.1 12.3 1.0 NB D:HEM147 2.1 12.1 1.0 NE2 D:HIS92 2.2 10.3 1.0 C4B D:HEM147 3.1 12.3 1.0 C4D D:HEM147 3.1 11.2 1.0 C1D D:HEM147 3.1 14.6 1.0 C1A D:HEM147 3.1 15.7 1.0 C4A D:HEM147 3.1 15.4 1.0 C1B D:HEM147 3.1 12.8 1.0 C4C D:HEM147 3.1 10.8 1.0 CE1 D:HIS92 3.1 9.1 1.0 C1C D:HEM147 3.1 11.9 1.0 CD2 D:HIS92 3.2 9.8 1.0 CHA D:HEM147 3.4 11.4 1.0 CHC D:HEM147 3.5 9.5 1.0 CHD D:HEM147 3.5 12.5 1.0 CHB D:HEM147 3.5 9.7 1.0 ND1 D:HIS92 4.3 11.5 1.0 C3D D:HEM147 4.3 11.3 1.0 CG2 D:VAL67 4.3 15.4 1.0 C3B D:HEM147 4.3 14.1 1.0 C2B D:HEM147 4.3 11.8 1.0 C2A D:HEM147 4.3 17.7 1.0 C2D D:HEM147 4.3 15.7 1.0 C3A D:HEM147 4.3 15.2 1.0 CG D:HIS92 4.3 11.4 1.0 NE2 D:HIS63 4.3 20.9 1.0 C2C D:HEM147 4.3 13.1 1.0 C3C D:HEM147 4.3 12.2 1.0 CE1 D:HIS63 4.7 23.0 1.0 CD1 D:LEU96 4.9 9.9 1.0

H.L.Hui, J.S.Kavanaugh, M.L.Doyle, A.Wierzba, P.H.Rogers, A.Arnone, J.M.Holt, G.K.Ackers, R.W.Noble. Structural and Functional Properties of Human Hemoglobins Reassembled After Synthesis in Escherichia Coli. Biochemistry V. 38 1040 1999.
ISSN: ISSN 0006-2960
PubMed: 9894000
DOI: 10.1021/BI981986G