Iron in PDB 1dxt: High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini

The structure of High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini, PDB code: 1dxt 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)	6.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.200, 83.600, 53.800, 90.00, 99.30, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini (pdb code 1dxt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini, PDB code: 1dxt:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:13.1 occ:1.00 FE A:HEM142 0.0 13.1 1.0 ND A:HEM142 2.1 10.7 1.0 NA A:HEM142 2.1 11.7 1.0 NC A:HEM142 2.1 12.4 1.0 NB A:HEM142 2.1 9.1 1.0 NE2 A:HIS87 2.2 11.2 1.0 C4D A:HEM142 3.1 10.8 1.0 C1D A:HEM142 3.1 9.9 1.0 C1A A:HEM142 3.1 13.6 1.0 C1C A:HEM142 3.1 12.9 1.0 C1B A:HEM142 3.1 10.3 1.0 C4C A:HEM142 3.1 13.0 1.0 CE1 A:HIS87 3.1 9.9 1.0 C4B A:HEM142 3.1 8.4 1.0 C4A A:HEM142 3.1 14.2 1.0 CD2 A:HIS87 3.4 8.9 1.0 O A:HOH149 3.4 23.4 1.0 CHA A:HEM142 3.4 12.7 1.0 CHB A:HEM142 3.5 10.9 1.0 CHD A:HEM142 3.5 11.9 1.0 CHC A:HEM142 3.5 8.2 1.0 C3D A:HEM142 4.3 14.8 1.0 ND1 A:HIS87 4.3 11.7 1.0 C2D A:HEM142 4.3 13.3 1.0 C2B A:HEM142 4.3 10.8 1.0 C2C A:HEM142 4.3 12.9 1.0 C2A A:HEM142 4.3 16.6 1.0 C3B A:HEM142 4.3 11.0 1.0 C3C A:HEM142 4.3 11.1 1.0 C3A A:HEM142 4.3 16.3 1.0 NE2 A:HIS58 4.4 15.9 1.0 CG A:HIS87 4.5 11.8 1.0 CD1 A:LEU91 4.5 11.9 1.0 CE1 A:HIS58 4.5 17.2 1.0

Iron binding site 2 out of 4 in the High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:11.9 occ:1.00 FE B:HEM148 0.0 11.9 1.0 NA B:HEM148 2.0 11.8 1.0 NB B:HEM148 2.0 9.8 1.0 ND B:HEM148 2.1 13.2 1.0 NC B:HEM148 2.1 11.8 1.0 NE2 B:HIS93 2.2 9.9 1.0 CE1 B:HIS93 3.1 11.7 1.0 C4A B:HEM148 3.1 11.6 1.0 C1B B:HEM148 3.1 9.3 1.0 C1A B:HEM148 3.1 14.4 1.0 C4B B:HEM148 3.1 10.1 1.0 C4D B:HEM148 3.1 15.4 1.0 C1D B:HEM148 3.1 11.6 1.0 C4C B:HEM148 3.1 9.1 1.0 C1C B:HEM148 3.1 11.4 1.0 CD2 B:HIS93 3.3 9.0 1.0 CHB B:HEM148 3.4 12.6 1.0 CHA B:HEM148 3.5 12.3 1.0 CHD B:HEM148 3.5 7.9 1.0 CHC B:HEM148 3.5 10.8 1.0 CG2 B:VAL68 4.1 14.9 1.0 ND1 B:HIS93 4.2 10.9 1.0 NE2 B:HIS64 4.3 14.8 1.0 C2A B:HEM148 4.3 12.8 1.0 C3A B:HEM148 4.3 11.9 1.0 C2B B:HEM148 4.3 9.3 1.0 C3B B:HEM148 4.3 13.0 1.0 C3D B:HEM148 4.3 12.7 1.0 C2D B:HEM148 4.3 12.4 1.0 CG B:HIS93 4.4 13.7 1.0 C2C B:HEM148 4.4 10.8 1.0 C3C B:HEM148 4.4 10.0 1.0 CE1 B:HIS64 4.5 17.4 1.0 CD1 B:LEU97 5.0 10.5 1.0

Iron binding site 3 out of 4 in the High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:11.4 occ:1.00 FE C:HEM142 0.0 11.4 1.0 NC C:HEM142 2.0 8.8 1.0 ND C:HEM142 2.1 10.6 1.0 NB C:HEM142 2.1 10.9 1.0 NA C:HEM142 2.1 12.7 1.0 NE2 C:HIS87 2.3 9.7 1.0 C1C C:HEM142 3.1 9.6 1.0 C4C C:HEM142 3.1 10.1 1.0 C1D C:HEM142 3.1 9.3 1.0 C4B C:HEM142 3.1 8.1 1.0 C4D C:HEM142 3.1 6.8 1.0 C1A C:HEM142 3.1 9.3 1.0 C1B C:HEM142 3.1 14.6 1.0 C4A C:HEM142 3.2 10.8 1.0 CE1 C:HIS87 3.2 9.2 1.0 CD2 C:HIS87 3.3 8.2 1.0 CHD C:HEM142 3.4 8.9 1.0 CHC C:HEM142 3.4 7.5 1.0 CHA C:HEM142 3.5 8.4 1.0 CHB C:HEM142 3.5 10.8 1.0 O C:HOH145 3.6 21.9 1.0 C2C C:HEM142 4.3 10.3 1.0 C3C C:HEM142 4.3 10.3 1.0 C2D C:HEM142 4.3 11.4 1.0 C3D C:HEM142 4.3 10.8 1.0 C3B C:HEM142 4.3 9.3 1.0 ND1 C:HIS87 4.3 11.5 1.0 C2B C:HEM142 4.3 14.4 1.0 C2A C:HEM142 4.4 13.1 1.0 C3A C:HEM142 4.4 10.8 1.0 CG C:HIS87 4.4 12.0 1.0 NE2 C:HIS58 4.4 12.3 1.0 CD1 C:LEU91 4.5 13.0 1.0 CE1 C:HIS58 4.6 15.3 1.0

Iron binding site 4 out of 4 in the High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe148 b:12.7 occ:1.00 FE D:HEM148 0.0 12.7 1.0 NB D:HEM148 2.0 10.3 1.0 ND D:HEM148 2.1 9.6 1.0 NA D:HEM148 2.1 12.0 1.0 NE2 D:HIS93 2.1 11.4 1.0 NC D:HEM148 2.1 8.9 1.0 CE1 D:HIS93 3.0 9.2 1.0 C1B D:HEM148 3.0 11.8 1.0 C4B D:HEM148 3.1 12.1 1.0 C4A D:HEM148 3.1 13.3 1.0 C1D D:HEM148 3.1 14.5 1.0 C4D D:HEM148 3.1 11.2 1.0 C1A D:HEM148 3.1 12.6 1.0 C1C D:HEM148 3.1 8.1 1.0 CD2 D:HIS93 3.1 8.8 1.0 C4C D:HEM148 3.1 10.6 1.0 CHB D:HEM148 3.4 8.6 1.0 CHA D:HEM148 3.5 9.6 1.0 CHC D:HEM148 3.5 7.8 1.0 CHD D:HEM148 3.5 9.6 1.0 ND1 D:HIS93 4.2 9.2 1.0 C2B D:HEM148 4.2 11.8 1.0 C3B D:HEM148 4.2 11.2 1.0 CG D:HIS93 4.3 15.9 1.0 CG2 D:VAL68 4.3 11.0 1.0 C3D D:HEM148 4.3 14.6 1.0 C3A D:HEM148 4.3 14.5 1.0 C2D D:HEM148 4.3 16.3 1.0 NE2 D:HIS64 4.3 22.1 1.0 C2A D:HEM148 4.3 15.0 1.0 C3C D:HEM148 4.4 11.1 1.0 C2C D:HEM148 4.4 10.6 1.0 CE1 D:HIS64 4.7 22.1 1.0 CD1 D:LEU97 4.9 11.5 1.0

J.S.Kavanaugh, P.H.Rogers, A.Arnone. High-Resolution X-Ray Study of Deoxy Recombinant Human Hemoglobins Synthesized From Beta-Globins Having Mutated Amino Termini. Biochemistry V. 31 8640 1992.
ISSN: ISSN 0006-2960
PubMed: 1390648
DOI: 10.1021/BI00151A034