Iron in PDB 1bzz: Hemoglobin (Alpha V1M) Mutant

The structure of Hemoglobin (Alpha V1M) Mutant, PDB code: 1bzz 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 (%)	16.4 / 21.5

The binding sites of Iron atom in the Hemoglobin (Alpha V1M) Mutant (pdb code 1bzz). 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 V1M) Mutant, PDB code: 1bzz:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Hemoglobin (Alpha V1M) Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hemoglobin (Alpha V1M) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:13.0 occ:1.00 FE A:HEM142 0.0 13.0 1.0 ND A:HEM142 2.0 12.6 1.0 NA A:HEM142 2.1 12.4 1.0 NC A:HEM142 2.1 11.4 1.0 NB A:HEM142 2.1 10.2 1.0 NE2 A:HIS87 2.2 13.2 1.0 C4D A:HEM142 3.1 15.0 1.0 C1D A:HEM142 3.1 9.7 1.0 C1A A:HEM142 3.1 13.7 1.0 C4C A:HEM142 3.1 11.8 1.0 C4A A:HEM142 3.1 15.4 1.0 CE1 A:HIS87 3.1 9.7 1.0 C4B A:HEM142 3.1 10.5 1.0 C1B A:HEM142 3.1 12.8 1.0 C1C A:HEM142 3.1 11.7 1.0 CD2 A:HIS87 3.3 9.0 1.0 O A:HOH222 3.5 21.3 1.0 CHB A:HEM142 3.5 12.7 1.0 CHA A:HEM142 3.5 12.1 1.0 CHD A:HEM142 3.5 9.3 1.0 CHC A:HEM142 3.5 8.2 1.0 C3D A:HEM142 4.3 14.1 1.0 ND1 A:HIS87 4.3 12.4 1.0 C2D A:HEM142 4.3 12.8 1.0 C2A A:HEM142 4.3 16.9 1.0 C3B A:HEM142 4.3 14.2 1.0 C3A A:HEM142 4.3 15.4 1.0 C2C A:HEM142 4.3 10.8 1.0 C2B A:HEM142 4.3 11.8 1.0 C3C A:HEM142 4.3 11.8 1.0 CD1 A:LEU91 4.4 11.7 1.0 CG A:HIS87 4.4 11.8 1.0 NE2 A:HIS58 4.5 16.8 1.0 CE1 A:HIS58 4.6 19.1 1.0

Iron binding site 2 out of 4 in the Hemoglobin (Alpha V1M) Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hemoglobin (Alpha V1M) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:12.1 occ:1.00 FE B:HEM147 0.0 12.1 1.0 NA B:HEM147 2.0 11.1 1.0 NC B:HEM147 2.0 10.9 1.0 ND B:HEM147 2.1 12.7 1.0 NB B:HEM147 2.1 9.2 1.0 NE2 B:HIS92 2.2 8.1 1.0 CE1 B:HIS92 3.0 9.8 1.0 C4A B:HEM147 3.1 9.6 1.0 C1A B:HEM147 3.1 15.8 1.0 C1D B:HEM147 3.1 9.8 1.0 C1B B:HEM147 3.1 10.3 1.0 C4D B:HEM147 3.1 13.5 1.0 C1C B:HEM147 3.1 11.9 1.0 C4B B:HEM147 3.1 12.1 1.0 C4C B:HEM147 3.1 7.6 1.0 CD2 B:HIS92 3.2 9.2 1.0 CHB B:HEM147 3.4 10.2 1.0 CHC B:HEM147 3.4 11.2 1.0 CHA B:HEM147 3.5 10.3 1.0 CHD B:HEM147 3.5 8.4 1.0 CG2 B:VAL67 4.2 12.3 1.0 NE2 B:HIS63 4.2 13.4 1.0 ND1 B:HIS92 4.2 11.7 1.0 C2A B:HEM147 4.3 13.1 1.0 C3D B:HEM147 4.3 11.5 1.0 C3A B:HEM147 4.3 13.2 1.0 C2D B:HEM147 4.3 10.2 1.0 C2C B:HEM147 4.3 11.6 1.0 C3B B:HEM147 4.3 12.7 1.0 C3C B:HEM147 4.3 9.8 1.0 C2B B:HEM147 4.4 9.6 1.0 CG B:HIS92 4.4 13.3 1.0 CE1 B:HIS63 4.5 18.9 1.0 CD1 B:LEU96 4.9 10.7 1.0

Iron binding site 3 out of 4 in the Hemoglobin (Alpha V1M) Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Hemoglobin (Alpha V1M) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:12.6 occ:1.00 FE C:HEM142 0.0 12.6 1.0 NC C:HEM142 2.1 8.1 1.0 ND C:HEM142 2.1 9.2 1.0 NB C:HEM142 2.1 10.6 1.0 NA C:HEM142 2.1 12.8 1.0 NE2 C:HIS87 2.2 9.5 1.0 C4B C:HEM142 3.1 8.7 1.0 C1D C:HEM142 3.1 9.7 1.0 C1A C:HEM142 3.1 11.6 1.0 CE1 C:HIS87 3.1 8.2 1.0 C4D C:HEM142 3.1 8.2 1.0 C1C C:HEM142 3.1 10.5 1.0 C4C C:HEM142 3.1 9.1 1.0 C4A C:HEM142 3.1 10.5 1.0 C1B C:HEM142 3.1 13.9 1.0 CD2 C:HIS87 3.3 8.8 1.0 CHC C:HEM142 3.4 10.3 1.0 CHA C:HEM142 3.5 9.1 1.0 CHD C:HEM142 3.5 10.3 1.0 CHB C:HEM142 3.5 13.3 1.0 O C:HOH356 3.6 19.2 1.0 ND1 C:HIS87 4.3 11.1 1.0 C3D C:HEM142 4.3 10.4 1.0 C3B C:HEM142 4.3 10.9 1.0 C2A C:HEM142 4.3 11.9 1.0 C2D C:HEM142 4.3 14.0 1.0 C3C C:HEM142 4.3 9.6 1.0 C2B C:HEM142 4.3 12.8 1.0 C2C C:HEM142 4.3 10.8 1.0 C3A C:HEM142 4.3 11.8 1.0 CG C:HIS87 4.4 9.1 1.0 NE2 C:HIS58 4.4 16.0 1.0 CD1 C:LEU91 4.5 13.6 1.0 CE1 C:HIS58 4.5 15.4 1.0

Iron binding site 4 out of 4 in the Hemoglobin (Alpha V1M) Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Hemoglobin (Alpha V1M) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:12.5 occ:1.00 FE D:HEM147 0.0 12.5 1.0 ND D:HEM147 2.0 12.0 1.0 NB D:HEM147 2.1 12.4 1.0 NA D:HEM147 2.1 10.7 1.0 NC D:HEM147 2.1 11.5 1.0 NE2 D:HIS92 2.2 11.5 1.0 C4B D:HEM147 3.0 10.0 1.0 C1D D:HEM147 3.1 12.4 1.0 C4D D:HEM147 3.1 9.4 1.0 C1A D:HEM147 3.1 12.4 1.0 C1B D:HEM147 3.1 11.4 1.0 C4A D:HEM147 3.1 11.7 1.0 C4C D:HEM147 3.1 11.5 1.0 C1C D:HEM147 3.1 9.5 1.0 CE1 D:HIS92 3.1 8.6 1.0 CD2 D:HIS92 3.2 6.8 1.0 CHA D:HEM147 3.4 8.5 1.0 CHC D:HEM147 3.4 8.3 1.0 CHD D:HEM147 3.5 12.6 1.0 CHB D:HEM147 3.5 8.9 1.0 CG2 D:VAL67 4.3 11.8 1.0 C3D D:HEM147 4.3 12.1 1.0 C3B D:HEM147 4.3 13.5 1.0 C2B D:HEM147 4.3 13.1 1.0 ND1 D:HIS92 4.3 9.4 1.0 NE2 D:HIS63 4.3 17.7 1.0 C2D D:HEM147 4.3 17.4 1.0 C2A D:HEM147 4.3 15.4 1.0 C3A D:HEM147 4.3 12.6 1.0 C2C D:HEM147 4.3 10.1 1.0 C3C D:HEM147 4.3 10.8 1.0 CG D:HIS92 4.4 10.2 1.0 CE1 D:HIS63 4.7 20.2 1.0 CD1 D:LEU96 4.8 10.0 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