Iron in PDB 1j3q: Crystal Structure of Thermococcus Litoralis Phosphogrucose Isomerase Soaked with FESO4

All present enzymatic activity of Crystal Structure of Thermococcus Litoralis Phosphogrucose Isomerase Soaked with FESO4:
5.3.1.9;

The structure of Crystal Structure of Thermococcus Litoralis Phosphogrucose Isomerase Soaked with FESO4, PDB code: 1j3q was solved by J.-J.Jeong, S.Fushinobu, S.Ito, M.Hidaka, H.Shoun, T.Wakagi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.27 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.520, 81.070, 126.939, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 27.8

The binding sites of Iron atom in the Crystal Structure of Thermococcus Litoralis Phosphogrucose Isomerase Soaked with FESO4 (pdb code 1j3q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Thermococcus Litoralis Phosphogrucose Isomerase Soaked with FESO4, PDB code: 1j3q:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Thermococcus Litoralis Phosphogrucose Isomerase Soaked with FESO4


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Thermococcus Litoralis Phosphogrucose Isomerase Soaked with FESO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:47.1 occ:1.00 OE1 A:GLU98 2.0 23.1 1.0 O A:HOH305 2.4 30.4 1.0 NE2 A:HIS89 2.4 24.5 1.0 NE2 A:HIS137 2.6 35.2 1.0 NE2 A:HIS91 2.6 20.9 1.0 CE1 A:HIS137 3.0 31.8 1.0 CD A:GLU98 3.0 25.7 1.0 CE1 A:HIS89 3.2 27.6 1.0 O A:HOH288 3.3 45.2 1.0 CD2 A:HIS91 3.3 25.3 1.0 OE2 A:GLU98 3.4 26.9 1.0 CD2 A:HIS89 3.5 22.3 1.0 CE1 A:HIS91 3.7 29.6 1.0 CD2 A:HIS137 3.9 28.2 1.0 ND1 A:HIS137 4.3 35.7 1.0 ND1 A:HIS89 4.3 24.4 1.0 CG A:GLU98 4.4 24.8 1.0 OH A:TYR100 4.5 31.3 1.0 CG A:HIS89 4.5 22.4 1.0 CG A:HIS91 4.5 21.1 1.0 CB A:GLU98 4.6 19.4 1.0 ND1 A:HIS91 4.7 25.4 1.0 O A:HOH275 4.7 30.0 1.0 CG A:HIS137 4.7 26.6 1.0 CD2 A:HIS159 5.0 33.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Thermococcus Litoralis Phosphogrucose Isomerase Soaked with FESO4


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Thermococcus Litoralis Phosphogrucose Isomerase Soaked with FESO4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:74.0 occ:1.00 OE2 B:GLU98 2.2 26.9 1.0 CE1 B:HIS89 2.7 38.1 1.0 CE1 B:HIS137 2.7 30.0 1.0 NE2 B:HIS137 2.7 27.8 1.0 CE1 B:HIS91 2.8 34.1 1.0 CD B:GLU98 3.1 23.5 1.0 NE2 B:HIS89 3.1 40.6 1.0 OE1 B:GLU98 3.3 32.6 1.0 NE2 B:HIS91 3.6 34.5 1.0 ND1 B:HIS91 3.7 34.4 1.0 ND1 B:HIS89 3.9 39.2 1.0 ND1 B:HIS137 4.1 29.8 1.0 CD2 B:HIS137 4.1 30.6 1.0 OH B:TYR100 4.4 29.4 1.0 CD2 B:HIS89 4.4 37.5 1.0 O B:HOH285 4.4 31.6 1.0 CG B:GLU98 4.4 27.1 1.0 CB B:GLU98 4.8 18.8 1.0 CD2 B:HIS91 4.8 30.9 1.0 CG B:HIS137 4.8 26.3 1.0 CG B:HIS91 4.8 33.5 1.0 CG B:HIS89 4.8 36.6 1.0 CG B:TYR153 4.9 27.5 1.0 CB B:TYR153 5.0 24.6 1.0

J.-J.Jeong, S.Fushinobu, S.Ito, M.Hidaka, H.Shoun, T.Wakagi. Crystal Structure of A Novel Cupin-Type Phosphoglucose Isomerase To Be Published.