Iron in PDB 3ubv: Oxygen-Bound Hell'S Gate Globin I By Classical Hanging Drop

The structure of Oxygen-Bound Hell'S Gate Globin I By Classical Hanging Drop, PDB code: 3ubv was solved by D.Scudieri, L.Belmonte, J.A.Saito, M.Alam, C.Nicolini, E.Pechkova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.18 / 3.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	70.350, 126.510, 148.360, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 30

The binding sites of Iron atom in the Oxygen-Bound Hell'S Gate Globin I By Classical Hanging Drop (pdb code 3ubv). 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 Classical Hanging Drop, PDB code: 3ubv:
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 Classical Hanging Drop


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 Classical Hanging Drop within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe140 b:6.8 occ:1.00 FE A:HEM140 0.0 6.8 1.0 NA A:HEM140 1.9 8.2 1.0 NE2 A:HIS82 1.9 17.5 1.0 NB A:HEM140 2.0 8.1 1.0 ND A:HEM140 2.0 8.6 1.0 NC A:HEM140 2.1 8.8 1.0 O1 A:OXY141 2.5 2.0 0.8 O2 A:OXY141 2.8 2.0 0.8 CE1 A:HIS82 2.9 17.6 1.0 C4A A:HEM140 2.9 9.8 1.0 CD2 A:HIS82 3.0 17.0 1.0 C1B A:HEM140 3.0 9.4 1.0 C1A A:HEM140 3.0 8.7 1.0 C1D A:HEM140 3.0 9.1 1.0 C4B A:HEM140 3.0 8.2 1.0 C4C A:HEM140 3.0 9.3 1.0 C4D A:HEM140 3.1 9.2 1.0 C1C A:HEM140 3.1 7.9 1.0 CHB A:HEM140 3.3 9.6 1.0 CHD A:HEM140 3.4 9.1 1.0 CHA A:HEM140 3.4 8.8 1.0 CHC A:HEM140 3.4 8.1 1.0 ND1 A:HIS82 4.0 16.1 1.0 CG A:HIS82 4.1 15.7 1.0 C3A A:HEM140 4.1 10.6 1.0 C2A A:HEM140 4.2 10.5 1.0 C3B A:HEM140 4.2 8.8 1.0 C2B A:HEM140 4.2 8.9 1.0 C2D A:HEM140 4.3 9.8 1.0 C3D A:HEM140 4.3 10.4 1.0 C3C A:HEM140 4.3 8.7 1.0 NE2 A:GLN50 4.3 5.6 0.6 C2C A:HEM140 4.3 7.9 1.0

Iron binding site 2 out of 3 in the Oxygen-Bound Hell'S Gate Globin I By Classical Hanging Drop


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 Classical Hanging Drop within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe140 b:6.9 occ:1.00 FE D:HEM140 0.0 6.9 1.0 NE2 D:HIS82 1.9 20.6 1.0 NA D:HEM140 1.9 10.0 1.0 NB D:HEM140 2.0 9.1 1.0 ND D:HEM140 2.0 9.0 1.0 NC D:HEM140 2.1 9.0 1.0 O1 D:OXY141 2.2 2.0 0.8 CE1 D:HIS82 2.7 20.9 1.0 C4A D:HEM140 2.9 10.5 1.0 C1B D:HEM140 2.9 9.8 1.0 C1D D:HEM140 3.0 9.6 1.0 O2 D:OXY141 3.0 2.0 0.8 C4B D:HEM140 3.0 9.6 1.0 C1A D:HEM140 3.1 11.2 1.0 CD2 D:HIS82 3.1 20.7 1.0 C4C D:HEM140 3.1 7.9 1.0 C4D D:HEM140 3.1 9.5 1.0 C1C D:HEM140 3.2 8.9 1.0 CHB D:HEM140 3.2 10.1 1.0 CHD D:HEM140 3.3 8.8 1.0 CHA D:HEM140 3.5 10.8 1.0 CHC D:HEM140 3.5 9.1 1.0 ND1 D:HIS82 3.9 20.8 1.0 CG D:HIS82 4.1 20.5 1.0 C3A D:HEM140 4.1 11.1 1.0 C2B D:HEM140 4.2 11.1 1.0 C2A D:HEM140 4.2 11.5 1.0 C3B D:HEM140 4.2 11.0 1.0 C2D D:HEM140 4.2 9.1 1.0 C3D D:HEM140 4.3 9.5 1.0 C3C D:HEM140 4.3 7.6 1.0 C2C D:HEM140 4.4 8.6 1.0 NE2 D:GLN50 4.5 5.3 0.6

Iron binding site 3 out of 3 in the Oxygen-Bound Hell'S Gate Globin I By Classical Hanging Drop


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 Classical Hanging Drop within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe140 b:6.4 occ:1.00 FE G:HEM140 0.0 6.4 1.0 NE2 G:HIS82 1.9 13.4 1.0 NA G:HEM140 1.9 7.9 1.0 ND G:HEM140 2.0 7.2 1.0 NB G:HEM140 2.0 7.1 1.0 NC G:HEM140 2.1 6.2 1.0 O1 G:OXY141 2.2 2.0 0.8 CE1 G:HIS82 2.7 13.2 1.0 C4A G:HEM140 2.9 9.5 1.0 C1A G:HEM140 3.0 9.5 1.0 C1D G:HEM140 3.0 7.2 1.0 C1B G:HEM140 3.0 7.9 1.0 CD2 G:HIS82 3.0 13.8 1.0 C4D G:HEM140 3.0 8.4 1.0 C4C G:HEM140 3.1 5.7 1.0 C4B G:HEM140 3.1 6.7 1.0 C1C G:HEM140 3.2 5.8 1.0 O2 G:OXY141 3.3 2.0 0.8 CHB G:HEM140 3.3 8.9 1.0 CHD G:HEM140 3.4 5.9 1.0 CHA G:HEM140 3.4 9.3 1.0 CHC G:HEM140 3.5 6.3 1.0 ND1 G:HIS82 3.8 13.8 1.0 CG G:HIS82 4.0 14.5 1.0 C3A G:HEM140 4.2 10.7 1.0 C2A G:HEM140 4.2 10.6 1.0 C2B G:HEM140 4.3 7.5 1.0 C2D G:HEM140 4.3 8.3 1.0 C3B G:HEM140 4.3 6.7 1.0 C3D G:HEM140 4.3 8.9 1.0 C3C G:HEM140 4.3 5.2 1.0 C2C G:HEM140 4.4 4.8 1.0 NE2 G:GLN50 4.6 7.3 0.6

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