Iron in PDB 6hbw: Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu->Trp

The structure of Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu->Trp, PDB code: 6hbw was solved by D.J.Harrington, K.Adachi, W.E.Royer Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.950, 81.280, 111.350, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 26.4

The binding sites of Iron atom in the Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu->Trp (pdb code 6hbw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu->Trp, PDB code: 6hbw:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu->Trp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu->Trp within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe153 b:10.4 occ:1.00 FE A:HEM153 0.0 10.4 1.0 NB A:HEM153 2.0 8.9 1.0 NC A:HEM153 2.0 5.8 1.0 NA A:HEM153 2.0 9.6 1.0 ND A:HEM153 2.0 8.2 1.0 NE2 A:HIS87 2.2 10.3 1.0 CE1 A:HIS87 3.0 8.2 1.0 C1C A:HEM153 3.0 3.3 1.0 C4B A:HEM153 3.0 9.4 1.0 C1B A:HEM153 3.1 8.9 1.0 C1A A:HEM153 3.1 9.5 1.0 C4C A:HEM153 3.1 3.8 1.0 C4A A:HEM153 3.1 10.8 1.0 C4D A:HEM153 3.1 8.0 1.0 C1D A:HEM153 3.1 6.6 1.0 CD2 A:HIS87 3.4 8.0 1.0 CHC A:HEM153 3.4 4.5 1.0 CHA A:HEM153 3.4 10.0 1.0 CHD A:HEM153 3.5 2.7 1.0 O A:HOH273 3.5 7.9 1.0 CHB A:HEM153 3.5 10.6 1.0 ND1 A:HIS87 4.2 7.0 1.0 C2C A:HEM153 4.3 2.0 1.0 C3C A:HEM153 4.3 3.4 1.0 C2B A:HEM153 4.3 7.8 1.0 C3B A:HEM153 4.3 7.6 1.0 C2A A:HEM153 4.3 10.7 1.0 CD1 A:LEU91 4.3 7.7 1.0 C3A A:HEM153 4.3 11.5 1.0 C2D A:HEM153 4.4 6.4 1.0 C3D A:HEM153 4.4 7.7 1.0 NE2 A:HIS58 4.4 14.6 1.0 CG A:HIS87 4.4 9.9 1.0 CE1 A:HIS58 4.5 14.5 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu->Trp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu->Trp within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe153 b:10.6 occ:1.00 FE B:HEM153 0.0 10.6 1.0 NA B:HEM153 1.9 8.1 1.0 ND B:HEM153 2.0 6.4 1.0 NC B:HEM153 2.0 8.2 1.0 NB B:HEM153 2.0 6.7 1.0 NE2 B:HIS92 2.1 8.6 1.0 C1A B:HEM153 3.0 9.1 1.0 C4D B:HEM153 3.0 6.2 1.0 C4A B:HEM153 3.0 8.3 1.0 C1D B:HEM153 3.1 5.2 1.0 CE1 B:HIS92 3.1 10.3 1.0 C4B B:HEM153 3.1 3.9 1.0 C1C B:HEM153 3.1 7.0 1.0 C4C B:HEM153 3.1 4.4 1.0 C1B B:HEM153 3.1 7.1 1.0 CD2 B:HIS92 3.2 7.5 1.0 CHA B:HEM153 3.3 9.1 1.0 CHC B:HEM153 3.5 8.9 1.0 CHB B:HEM153 3.5 5.4 1.0 CHD B:HEM153 3.5 4.5 1.0 CG2 B:VAL67 4.0 7.2 1.0 C2A B:HEM153 4.2 11.0 1.0 ND1 B:HIS92 4.2 9.2 1.0 NE2 B:HIS63 4.2 10.7 1.0 C3D B:HEM153 4.2 7.0 1.0 C3A B:HEM153 4.3 9.3 1.0 C2D B:HEM153 4.3 4.4 1.0 CG B:HIS92 4.3 9.5 1.0 C3B B:HEM153 4.3 6.4 1.0 C3C B:HEM153 4.3 6.8 1.0 C2C B:HEM153 4.3 7.1 1.0 C2B B:HEM153 4.4 6.5 1.0 CE1 B:HIS63 4.5 12.4 1.0 CD1 B:LEU96 4.8 12.2 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu->Trp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu->Trp within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe153 b:10.1 occ:1.00 FE C:HEM153 0.0 10.1 1.0 NC C:HEM153 2.0 9.6 1.0 NB C:HEM153 2.0 9.5 1.0 NA C:HEM153 2.0 8.2 1.0 ND C:HEM153 2.0 9.5 1.0 NE2 C:HIS87 2.2 13.4 1.0 C1C C:HEM153 3.0 9.7 1.0 C4B C:HEM153 3.0 10.5 1.0 CE1 C:HIS87 3.0 15.3 1.0 C1B C:HEM153 3.1 6.4 1.0 C4C C:HEM153 3.1 6.0 1.0 C4A C:HEM153 3.1 8.7 1.0 C4D C:HEM153 3.1 9.3 1.0 C1A C:HEM153 3.1 10.1 1.0 C1D C:HEM153 3.1 7.8 1.0 CHC C:HEM153 3.3 9.4 1.0 CD2 C:HIS87 3.4 11.7 1.0 CHB C:HEM153 3.4 8.0 1.0 CHA C:HEM153 3.5 9.0 1.0 CHD C:HEM153 3.5 5.8 1.0 O C:HOH203 3.7 12.9 1.0 C2C C:HEM153 4.2 7.6 1.0 ND1 C:HIS87 4.2 13.9 1.0 C3B C:HEM153 4.3 11.7 1.0 C2B C:HEM153 4.3 9.4 1.0 C3C C:HEM153 4.3 6.1 1.0 CE1 C:HIS58 4.3 8.4 1.0 C3A C:HEM153 4.3 10.9 1.0 C3D C:HEM153 4.4 9.2 1.0 CD1 C:LEU91 4.4 5.9 1.0 C2A C:HEM153 4.4 9.9 1.0 C2D C:HEM153 4.4 7.8 1.0 CG C:HIS87 4.4 14.1 1.0 NE2 C:HIS58 4.5 5.9 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu->Trp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu->Trp within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe153 b:13.4 occ:1.00 FE D:HEM153 0.0 13.4 1.0 ND D:HEM153 1.9 8.5 1.0 NB D:HEM153 2.0 10.1 1.0 NC D:HEM153 2.0 10.7 1.0 NA D:HEM153 2.0 11.5 1.0 NE2 D:HIS92 2.1 9.9 1.0 C1D D:HEM153 3.0 8.4 1.0 C4B D:HEM153 3.0 10.6 1.0 C4D D:HEM153 3.0 10.0 1.0 C1B D:HEM153 3.0 11.1 1.0 C4A D:HEM153 3.1 9.9 1.0 C1C D:HEM153 3.1 10.0 1.0 C4C D:HEM153 3.1 9.4 1.0 C1A D:HEM153 3.1 11.3 1.0 CE1 D:HIS92 3.1 9.8 1.0 CD2 D:HIS92 3.2 9.4 1.0 CHD D:HEM153 3.4 9.2 1.0 CHC D:HEM153 3.4 11.5 1.0 CHB D:HEM153 3.4 8.3 1.0 CHA D:HEM153 3.4 9.9 1.0 CG2 D:VAL67 3.8 14.5 1.0 NE2 D:HIS63 4.0 11.1 1.0 C2D D:HEM153 4.2 6.3 1.0 C3B D:HEM153 4.2 9.2 1.0 C3D D:HEM153 4.3 7.9 1.0 ND1 D:HIS92 4.3 8.9 1.0 C2A D:HEM153 4.3 12.1 1.0 C2B D:HEM153 4.3 12.9 1.0 C3A D:HEM153 4.3 10.9 1.0 C3C D:HEM153 4.3 9.5 1.0 C2C D:HEM153 4.3 9.8 1.0 CE1 D:HIS63 4.3 15.9 1.0 CG D:HIS92 4.4 9.0 1.0 CD1 D:LEU96 4.9 6.2 1.0 CE1 D:PHE103 4.9 8.5 1.0 CB D:VAL67 5.0 15.5 1.0

D.J.Harrington, K.Adachi, W.E.Royer Jr.. Crystal Structure of Deoxy-Human Hemoglobin BETA6 Glu --> Trp. Implications For the Structure and Formation of the Sickle Cell Fiber. J.Biol.Chem. V. 273 32690 1998.
ISSN: ISSN 0021-9258
PubMed: 9830011
DOI: 10.1074/JBC.273.49.32690