Iron in PDB 3uhq: Hbi (L36A) Deoxy

The structure of Hbi (L36A) Deoxy, PDB code: 3uhq 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)	38.68 / 1.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	91.760, 44.360, 143.820, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 18.6

The binding sites of Iron atom in the Hbi (L36A) Deoxy (pdb code 3uhq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Hbi (L36A) Deoxy, PDB code: 3uhq:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Hbi (L36A) Deoxy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hbi (L36A) Deoxy within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:15.8 occ:1.00 FE A:HEM147 0.0 15.8 1.0 NB A:HEM147 2.0 14.0 1.0 NC A:HEM147 2.0 13.6 1.0 ND A:HEM147 2.0 14.8 1.0 NA A:HEM147 2.0 15.3 1.0 NE2 A:HIS101 2.1 16.3 1.0 CE1 A:HIS101 3.0 13.8 1.0 C4C A:HEM147 3.0 13.9 1.0 C4B A:HEM147 3.0 12.5 1.0 C1B A:HEM147 3.1 13.0 1.0 C1D A:HEM147 3.1 15.0 1.0 C1C A:HEM147 3.1 13.9 1.0 C4A A:HEM147 3.1 10.8 1.0 C4D A:HEM147 3.1 13.7 1.0 C1A A:HEM147 3.1 13.7 1.0 CD2 A:HIS101 3.1 14.5 1.0 CHD A:HEM147 3.4 14.2 1.0 CHC A:HEM147 3.5 15.9 1.0 CHB A:HEM147 3.5 11.0 1.0 CHA A:HEM147 3.5 12.4 1.0 O A:HOH161 3.7 21.5 1.0 ND1 A:HIS101 4.2 15.1 1.0 CG A:HIS101 4.3 13.5 1.0 C3B A:HEM147 4.3 10.3 1.0 C2B A:HEM147 4.3 15.1 1.0 C3C A:HEM147 4.3 14.1 1.0 C3A A:HEM147 4.3 11.6 1.0 C2D A:HEM147 4.3 14.2 1.0 C3D A:HEM147 4.3 16.1 1.0 C2C A:HEM147 4.3 14.6 1.0 C2A A:HEM147 4.3 12.8 1.0 CE1 A:HIS69 4.5 18.5 1.0 CZ A:PHE97 4.8 17.0 1.0 NH1 A:ARG104 4.8 20.1 1.0 NE2 A:HIS69 5.0 14.2 1.0

Iron binding site 2 out of 2 in the Hbi (L36A) Deoxy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hbi (L36A) Deoxy within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:14.6 occ:1.00 FE B:HEM147 0.0 14.6 1.0 NC B:HEM147 2.0 14.0 1.0 NA B:HEM147 2.0 13.0 1.0 ND B:HEM147 2.0 13.2 1.0 NB B:HEM147 2.0 13.3 1.0 NE2 B:HIS101 2.1 14.8 1.0 C4C B:HEM147 3.1 16.0 1.0 C4A B:HEM147 3.1 12.5 1.0 C1D B:HEM147 3.1 14.5 1.0 CE1 B:HIS101 3.1 15.3 1.0 C1A B:HEM147 3.1 13.1 1.0 C1B B:HEM147 3.1 12.7 1.0 C4B B:HEM147 3.1 12.1 1.0 C1C B:HEM147 3.1 14.6 1.0 C4D B:HEM147 3.1 12.6 1.0 CD2 B:HIS101 3.1 14.2 1.0 CHD B:HEM147 3.4 15.1 1.0 CHB B:HEM147 3.5 12.6 1.0 CHC B:HEM147 3.5 15.4 1.0 CHA B:HEM147 3.5 12.8 1.0 O B:HOH157 3.7 18.8 1.0 ND1 B:HIS101 4.2 14.1 1.0 CG B:HIS101 4.3 14.8 1.0 C3A B:HEM147 4.3 12.7 1.0 C2A B:HEM147 4.3 10.2 1.0 C2D B:HEM147 4.3 15.5 1.0 C2C B:HEM147 4.3 15.7 1.0 C3D B:HEM147 4.3 14.5 1.0 C3C B:HEM147 4.3 15.0 1.0 C3B B:HEM147 4.3 16.4 1.0 C2B B:HEM147 4.3 14.1 1.0 CE1 B:HIS69 4.5 15.6 1.0 CZ B:PHE97 4.8 14.6 1.0 NE2 B:HIS69 4.9 13.9 1.0 NH1 B:ARG104 4.9 20.7 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