Manganese in PDB 1hx3: Crystal Structure of E.Coli Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase

All present enzymatic activity of Crystal Structure of E.Coli Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase:
5.3.3.2;

The structure of Crystal Structure of E.Coli Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase, PDB code: 1hx3 was solved by V.Durbecq, G.Sainz, Y.Oudjama, B.Clantin, C.Bompard-Gilles, C.Tricot, J.Caillet, V.Stalon, L.Droogmans, V.Villeret, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.303, 72.621, 92.461, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 24.9

The binding sites of Manganese atom in the Crystal Structure of E.Coli Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase (pdb code 1hx3). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of E.Coli Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase, PDB code: 1hx3:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of E.Coli Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of E.Coli Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:16.6 occ:1.00 NE2 A:HIS32 2.1 12.9 0.0 NE2 A:HIS25 2.2 7.6 1.0 OE2 A:GLU116 2.2 11.8 0.0 NE2 A:HIS69 2.2 14.2 1.0 OE2 A:GLU114 2.4 10.1 0.0 OE1 A:GLU114 2.5 10.1 0.0 CD A:GLU114 2.8 10.1 0.0 CD A:GLU116 2.9 11.7 0.0 CD2 A:HIS69 3.0 7.5 1.0 CD2 A:HIS25 3.1 6.5 1.0 CE1 A:HIS32 3.1 12.9 0.0 CD2 A:HIS32 3.1 12.9 0.0 CE1 A:HIS25 3.2 8.2 1.0 CE1 A:HIS69 3.3 11.3 1.0 CG A:GLU116 3.6 11.8 0.0 OE1 A:GLU116 3.6 11.8 0.0 O A:HOH222 3.8 27.4 1.0 C2 A:IMD202 3.9 21.3 1.0 CG A:HIS69 4.2 10.6 1.0 ND1 A:HIS32 4.2 12.9 0.0 CG A:HIS25 4.3 9.2 1.0 CG A:HIS32 4.3 12.9 0.0 ND1 A:HIS25 4.3 8.2 1.0 CG A:GLU114 4.3 10.1 0.0 ND1 A:HIS69 4.3 10.4 1.0 N3 A:IMD202 4.5 26.8 1.0 N1 A:IMD202 4.5 15.6 1.0 CB A:ALA34 4.9 10.0 1.0 CG1 A:VAL6 5.0 14.2 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of E.Coli Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of E.Coli Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn202 b:18.9 occ:1.00 NE2 B:HIS32 2.1 17.7 0.0 NE2 B:HIS69 2.2 14.8 1.0 OE2 B:GLU116 2.2 11.8 0.0 NE2 B:HIS25 2.2 20.5 1.0 OE2 B:GLU114 2.5 15.4 0.0 OE1 B:GLU114 2.7 15.4 0.0 CD B:GLU116 2.8 11.7 0.0 CD2 B:HIS69 3.0 11.7 1.0 CD B:GLU114 3.0 15.4 0.0 CD2 B:HIS25 3.1 20.0 1.0 CD2 B:HIS32 3.1 17.8 0.0 CE1 B:HIS32 3.2 17.7 0.0 CE1 B:HIS25 3.3 21.6 1.0 CE1 B:HIS69 3.3 16.6 1.0 OE1 B:GLU116 3.6 11.8 0.0 CG B:GLU116 3.6 11.8 0.0 O B:HOH264 4.2 26.8 1.0 CG B:HIS69 4.2 15.6 1.0 CG B:HIS32 4.2 17.7 0.0 ND1 B:HIS32 4.2 17.8 0.0 CG B:HIS25 4.3 22.7 1.0 N1 B:IMD203 4.3 15.6 1.0 ND1 B:HIS69 4.3 17.0 1.0 ND1 B:HIS25 4.3 22.9 1.0 C2 B:IMD203 4.4 21.3 1.0 CG B:GLU114 4.5 15.3 0.0 CG1 B:VAL6 5.0 20.9 1.0 CB B:GLU116 5.0 11.4 1.0

V.Durbecq, G.Sainz, Y.Oudjama, B.Clantin, C.Bompard-Gilles, C.Tricot, J.Caillet, V.Stalon, L.Droogmans, V.Villeret. Crystal Structure of Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase. Embo J. V. 20 1530 2001.
ISSN: ISSN 0261-4189
PubMed: 11285217
DOI: 10.1093/EMBOJ/20.7.1530