Iron in PDB 3uhi: Hbi (K96R) Co Bound

The structure of Hbi (K96R) Co Bound, PDB code: 3uhi was solved by Z.Ren, V.Srajer, J.E.Knapp, W.E.Royer Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.27 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	83.630, 43.950, 87.520, 90.00, 115.25, 90.00
R / Rfree (%)	20.4 / 26.6

The binding sites of Iron atom in the Hbi (K96R) Co Bound (pdb code 3uhi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Hbi (K96R) Co Bound, PDB code: 3uhi:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Hbi (K96R) Co Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hbi (K96R) Co Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:47.3 occ:1.00 FE A:HEM147 0.0 47.3 1.0 C A:CMO148 1.9 49.5 1.0 ND A:HEM147 2.0 47.3 1.0 NB A:HEM147 2.0 47.3 1.0 NA A:HEM147 2.0 47.3 1.0 NC A:HEM147 2.0 47.3 1.0 NE2 A:HIS101 2.0 68.0 1.0 CE1 A:HIS101 3.0 68.0 1.0 C4D A:HEM147 3.1 47.3 1.0 C1A A:HEM147 3.1 47.3 1.0 C1B A:HEM147 3.1 47.3 1.0 C1D A:HEM147 3.1 47.3 1.0 C4C A:HEM147 3.1 47.3 1.0 C4B A:HEM147 3.1 47.3 1.0 C4A A:HEM147 3.1 47.3 1.0 C1C A:HEM147 3.1 47.3 1.0 O A:CMO148 3.1 49.5 1.0 CD2 A:HIS101 3.1 68.0 1.0 CHA A:HEM147 3.4 47.3 1.0 CHD A:HEM147 3.4 47.3 1.0 CHB A:HEM147 3.4 47.3 1.0 CHC A:HEM147 3.5 47.3 1.0 ND1 A:HIS101 4.1 68.0 1.0 CG A:HIS101 4.2 68.0 1.0 C3D A:HEM147 4.3 47.3 1.0 C2A A:HEM147 4.3 47.3 1.0 C2D A:HEM147 4.3 47.3 1.0 C2B A:HEM147 4.3 47.3 1.0 C3A A:HEM147 4.3 47.3 1.0 C3B A:HEM147 4.3 47.3 1.0 C2C A:HEM147 4.3 47.3 1.0 C3C A:HEM147 4.3 47.3 1.0 NE2 A:HIS69 4.9 23.4 1.0 CD1 A:LEU73 4.9 11.1 1.0 CE1 A:HIS69 5.0 23.4 1.0

Iron binding site 2 out of 4 in the Hbi (K96R) Co Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hbi (K96R) Co Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:28.1 occ:1.00 FE B:HEM147 0.0 28.1 1.0 C B:CMO148 1.9 24.8 1.0 NC B:HEM147 2.0 28.1 1.0 ND B:HEM147 2.0 28.1 1.0 NB B:HEM147 2.0 28.1 1.0 NA B:HEM147 2.0 28.1 1.0 NE2 B:HIS101 2.1 63.1 1.0 CE1 B:HIS101 2.9 63.1 1.0 C1C B:HEM147 3.0 28.1 1.0 C4C B:HEM147 3.0 28.1 1.0 C4D B:HEM147 3.1 28.1 1.0 C1D B:HEM147 3.1 28.1 1.0 C4B B:HEM147 3.1 28.1 1.0 C1B B:HEM147 3.1 28.1 1.0 C1A B:HEM147 3.1 28.1 1.0 C4A B:HEM147 3.1 28.1 1.0 O B:CMO148 3.1 24.8 1.0 CD2 B:HIS101 3.2 63.1 1.0 CHC B:HEM147 3.4 28.1 1.0 CHD B:HEM147 3.4 28.1 1.0 CHA B:HEM147 3.4 28.1 1.0 CHB B:HEM147 3.5 28.1 1.0 ND1 B:HIS101 4.1 63.1 1.0 C2C B:HEM147 4.3 28.1 1.0 C3C B:HEM147 4.3 28.1 1.0 CG B:HIS101 4.3 63.1 1.0 C2D B:HEM147 4.3 28.1 1.0 C3D B:HEM147 4.3 28.1 1.0 C2B B:HEM147 4.3 28.1 1.0 C3B B:HEM147 4.3 28.1 1.0 C3A B:HEM147 4.3 28.1 1.0 C2A B:HEM147 4.4 28.1 1.0 NE2 B:HIS69 4.6 18.9 1.0 CE1 B:HIS69 4.9 18.9 1.0 CD1 B:LEU73 5.0 28.7 1.0

Iron binding site 3 out of 4 in the Hbi (K96R) Co Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Hbi (K96R) Co Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe147 b:46.6 occ:1.00 FE C:HEM147 0.0 46.6 1.0 C C:CMO148 1.9 27.5 1.0 NC C:HEM147 2.0 46.6 1.0 ND C:HEM147 2.0 46.6 1.0 NA C:HEM147 2.0 46.6 1.0 NB C:HEM147 2.0 46.6 1.0 NE2 C:HIS101 2.1 45.1 1.0 CE1 C:HIS101 2.9 45.1 1.0 C1C C:HEM147 3.0 46.6 1.0 C4D C:HEM147 3.0 46.6 1.0 C1A C:HEM147 3.1 46.6 1.0 C1D C:HEM147 3.1 46.6 1.0 C4C C:HEM147 3.1 46.6 1.0 C4B C:HEM147 3.1 46.6 1.0 C4A C:HEM147 3.1 46.6 1.0 C1B C:HEM147 3.1 46.6 1.0 O C:CMO148 3.1 27.5 1.0 CD2 C:HIS101 3.2 45.1 1.0 CHA C:HEM147 3.4 46.6 1.0 CHC C:HEM147 3.4 46.6 1.0 CHD C:HEM147 3.4 46.6 1.0 CHB C:HEM147 3.5 46.6 1.0 ND1 C:HIS101 4.1 45.1 1.0 CG C:HIS101 4.2 45.1 1.0 C2C C:HEM147 4.3 46.6 1.0 C2D C:HEM147 4.3 46.6 1.0 C2A C:HEM147 4.3 46.6 1.0 C3D C:HEM147 4.3 46.6 1.0 C3C C:HEM147 4.3 46.6 1.0 C3A C:HEM147 4.3 46.6 1.0 C2B C:HEM147 4.3 46.6 1.0 C3B C:HEM147 4.3 46.6 1.0 NE2 C:HIS69 4.8 24.5 1.0 CE1 C:HIS69 4.8 24.5 1.0 CZ C:PHE51 4.9 48.1 1.0 CE1 C:PHE51 5.0 48.1 1.0

Iron binding site 4 out of 4 in the Hbi (K96R) Co Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Hbi (K96R) Co Bound within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:39.1 occ:1.00 FE D:HEM147 0.0 39.1 1.0 C D:CMO148 1.9 55.7 1.0 ND D:HEM147 2.0 39.1 1.0 NB D:HEM147 2.0 39.1 1.0 NA D:HEM147 2.0 39.1 1.0 NC D:HEM147 2.0 39.1 1.0 NE2 D:HIS101 2.1 83.8 1.0 CE1 D:HIS101 3.0 83.8 1.0 C4D D:HEM147 3.1 39.1 1.0 C1D D:HEM147 3.1 39.1 1.0 C1B D:HEM147 3.1 39.1 1.0 C4B D:HEM147 3.1 39.1 1.0 C1A D:HEM147 3.1 39.1 1.0 C4A D:HEM147 3.1 39.1 1.0 C1C D:HEM147 3.1 39.1 1.0 C4C D:HEM147 3.1 39.1 1.0 O D:CMO148 3.1 55.7 1.0 CD2 D:HIS101 3.2 83.8 1.0 CHA D:HEM147 3.4 39.1 1.0 CHD D:HEM147 3.4 39.1 1.0 CHB D:HEM147 3.5 39.1 1.0 CHC D:HEM147 3.5 39.1 1.0 ND1 D:HIS101 4.2 83.8 1.0 C3D D:HEM147 4.3 39.1 1.0 CG D:HIS101 4.3 83.8 1.0 C2D D:HEM147 4.3 39.1 1.0 C3A D:HEM147 4.3 39.1 1.0 C2B D:HEM147 4.3 39.1 1.0 C3B D:HEM147 4.3 39.1 1.0 C2C D:HEM147 4.3 39.1 1.0 C2A D:HEM147 4.3 39.1 1.0 C3C D:HEM147 4.3 39.1 1.0 NE2 D:HIS69 4.7 29.4 1.0 CE1 D:HIS69 4.9 29.4 1.0

Z.Ren, V.Srajer, J.E.Knapp, W.E.Royer. Cooperative Macromolecular Device Revealed By Meta-Analysis of Static and Time-Resolved Structures. Proc.Natl.Acad.Sci.Usa V. 109 107 2012.
ISSN: ISSN 0027-8424
PubMed: 22171006
DOI: 10.1073/PNAS.1109213108