Iron in PDB 3ubc: Oxygen-Bound Hell'S Gate Globin I By Lb Nanotemplate Method

The structure of Oxygen-Bound Hell'S Gate Globin I By Lb Nanotemplate Method, PDB code: 3ubc was solved by L.Belmonte, D.Scudieri, C.Nicolini, E.Pechkova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.12 / 1.65
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	70.227, 126.533, 148.236, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24

The binding sites of Iron atom in the Oxygen-Bound Hell'S Gate Globin I By Lb Nanotemplate Method (pdb code 3ubc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Oxygen-Bound Hell'S Gate Globin I By Lb Nanotemplate Method, PDB code: 3ubc:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Oxygen-Bound Hell'S Gate Globin I By Lb Nanotemplate Method


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Oxygen-Bound Hell'S Gate Globin I By Lb Nanotemplate Method within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:16.7 occ:1.00 FE A:HEM201 0.0 16.7 1.0 NC A:HEM201 1.9 15.2 1.0 NA A:HEM201 1.9 15.6 1.0 ND A:HEM201 2.0 16.9 1.0 NB A:HEM201 2.1 17.6 1.0 NE2 A:HIS82 2.1 14.6 1.0 O1 A:OXY202 2.2 12.5 0.8 C1A A:HEM201 3.0 15.2 1.0 C4A A:HEM201 3.0 17.4 1.0 C4D A:HEM201 3.0 16.8 1.0 C1C A:HEM201 3.0 13.8 1.0 O2 A:OXY202 3.0 24.0 0.8 CD2 A:HIS82 3.0 19.0 1.0 C1D A:HEM201 3.0 17.3 1.0 C4B A:HEM201 3.0 13.8 1.0 C4C A:HEM201 3.0 16.3 1.0 C1B A:HEM201 3.1 18.1 1.0 CE1 A:HIS82 3.1 16.3 1.0 CHA A:HEM201 3.4 16.5 1.0 CHB A:HEM201 3.4 17.1 1.0 CHD A:HEM201 3.4 14.4 1.0 CHC A:HEM201 3.4 15.4 1.0 CG A:HIS82 4.2 16.9 1.0 ND1 A:HIS82 4.2 16.4 1.0 C3A A:HEM201 4.2 18.2 1.0 C2D A:HEM201 4.2 13.6 1.0 NE2 A:GLN50 4.2 14.2 0.6 C2A A:HEM201 4.2 18.1 1.0 C2C A:HEM201 4.2 14.9 1.0 C3D A:HEM201 4.3 16.9 1.0 C2B A:HEM201 4.3 13.8 1.0 C3C A:HEM201 4.3 16.7 1.0 C3B A:HEM201 4.3 13.6 1.0

Iron binding site 2 out of 3 in the Oxygen-Bound Hell'S Gate Globin I By Lb Nanotemplate Method


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Oxygen-Bound Hell'S Gate Globin I By Lb Nanotemplate Method within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:16.8 occ:1.00 FE D:HEM201 0.0 16.8 1.0 NA D:HEM201 1.7 14.2 1.0 NC D:HEM201 1.8 15.3 1.0 O1 D:OXY202 2.0 13.2 0.8 NE2 D:HIS82 2.0 13.9 1.0 NB D:HEM201 2.1 19.2 1.0 ND D:HEM201 2.1 14.2 1.0 O2 D:OXY202 2.6 25.7 0.8 C4A D:HEM201 2.9 17.2 1.0 C1A D:HEM201 2.9 12.0 1.0 CE1 D:HIS82 3.0 16.4 1.0 C4C D:HEM201 3.0 15.6 1.0 C4B D:HEM201 3.0 16.1 1.0 C4D D:HEM201 3.0 13.2 1.0 C1C D:HEM201 3.0 14.8 1.0 C1D D:HEM201 3.0 18.9 1.0 C1B D:HEM201 3.0 19.7 1.0 CD2 D:HIS82 3.1 20.2 1.0 CHD D:HEM201 3.3 14.4 1.0 CHA D:HEM201 3.4 13.8 1.0 CHB D:HEM201 3.4 18.1 1.0 CHC D:HEM201 3.4 14.5 1.0 ND1 D:HIS82 4.1 20.5 1.0 C3A D:HEM201 4.2 18.1 1.0 CG D:HIS82 4.2 18.8 1.0 C2A D:HEM201 4.2 19.2 1.0 C3C D:HEM201 4.2 17.6 1.0 C2D D:HEM201 4.2 11.9 1.0 C3D D:HEM201 4.2 13.7 1.0 C2C D:HEM201 4.2 17.8 1.0 C3B D:HEM201 4.2 16.6 1.0 C2B D:HEM201 4.2 15.4 1.0 NE2 D:GLN50 4.3 16.6 0.6

Iron binding site 3 out of 3 in the Oxygen-Bound Hell'S Gate Globin I By Lb Nanotemplate Method


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Oxygen-Bound Hell'S Gate Globin I By Lb Nanotemplate Method within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe201 b:17.9 occ:1.00 FE G:HEM201 0.0 17.9 1.0 NC G:HEM201 2.0 18.1 1.0 ND G:HEM201 2.0 15.8 1.0 NA G:HEM201 2.0 18.5 1.0 NB G:HEM201 2.0 17.1 1.0 NE2 G:HIS82 2.0 18.0 1.0 O1 G:OXY202 2.2 14.1 0.8 C1D G:HEM201 3.0 19.7 1.0 CD2 G:HIS82 3.0 16.0 1.0 C1B G:HEM201 3.0 18.7 1.0 CE1 G:HIS82 3.0 19.1 1.0 C4A G:HEM201 3.0 22.0 1.0 C4B G:HEM201 3.0 13.6 1.0 C4D G:HEM201 3.0 14.5 1.0 C1A G:HEM201 3.0 18.4 1.0 C4C G:HEM201 3.0 18.9 1.0 C1C G:HEM201 3.1 13.2 1.0 CHD G:HEM201 3.4 17.5 1.0 CHB G:HEM201 3.4 20.6 1.0 CHC G:HEM201 3.4 16.0 1.0 CHA G:HEM201 3.5 18.9 1.0 O2 G:OXY202 3.6 18.1 0.8 ND1 G:HIS82 4.1 19.8 1.0 CG G:HIS82 4.1 16.7 1.0 NE2 G:GLN50 4.2 13.6 0.6 C2B G:HEM201 4.2 17.3 1.0 C3A G:HEM201 4.2 18.7 1.0 C2D G:HEM201 4.2 16.2 1.0 C2A G:HEM201 4.2 21.9 1.0 C3C G:HEM201 4.3 17.3 1.0 C3B G:HEM201 4.3 16.7 1.0 C3D G:HEM201 4.3 15.9 1.0 C2C G:HEM201 4.3 15.2 1.0

E.Pechkova, D.Scudieri, L.Belmonte, C.Nicolini. Oxygen-Bound Hell'S Gate Globin I By Classical Versus Lb Nanotemplate Method. J.Cell.Biochem. V. 8 793 2012.
ISSN: ISSN 0730-2312
PubMed: 22415930
DOI: 10.1002/JCB.24131