Manganese in PDB 1ppw: Isopentenylpyrophosphate-Dimethylallylpyrophosphate Isomerase in Complex with the Bromohydrine of Ipp

All present enzymatic activity of Isopentenylpyrophosphate-Dimethylallylpyrophosphate Isomerase in Complex with the Bromohydrine of Ipp:
5.3.3.2;

The structure of Isopentenylpyrophosphate-Dimethylallylpyrophosphate Isomerase in Complex with the Bromohydrine of Ipp, PDB code: 1ppw was solved by J.Wouters, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.090, 71.880, 91.730, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 28.7

The structure of Isopentenylpyrophosphate-Dimethylallylpyrophosphate Isomerase in Complex with the Bromohydrine of Ipp also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Manganese atom in the Isopentenylpyrophosphate-Dimethylallylpyrophosphate Isomerase in Complex with the Bromohydrine of Ipp (pdb code 1ppw). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Isopentenylpyrophosphate-Dimethylallylpyrophosphate Isomerase in Complex with the Bromohydrine of Ipp, PDB code: 1ppw:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Isopentenylpyrophosphate-Dimethylallylpyrophosphate Isomerase in Complex with the Bromohydrine of Ipp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Isopentenylpyrophosphate-Dimethylallylpyrophosphate Isomerase in Complex with the Bromohydrine of Ipp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:18.2 occ:1.00 NE2 A:HIS69 2.0 22.0 1.0 NE2 A:HIS32 2.0 18.7 1.0 OE2 A:GLU116 2.1 21.9 1.0 NE2 A:HIS25 2.1 15.3 1.0 OE1 A:GLU114 2.2 32.3 1.0 OE2 A:GLU114 2.3 31.2 1.0 CD A:GLU114 2.6 33.8 1.0 CE1 A:HIS69 2.8 21.4 1.0 CE1 A:HIS32 2.9 16.2 1.0 CE1 A:HIS25 3.0 12.8 1.0 CD2 A:HIS69 3.1 19.5 1.0 CD2 A:HIS25 3.1 18.8 1.0 CD2 A:HIS32 3.1 21.0 1.0 CD A:GLU116 3.2 22.0 1.0 CG A:GLU116 3.8 18.2 1.0 ND1 A:HIS69 4.0 18.4 1.0 ND1 A:HIS32 4.1 23.3 1.0 CG A:GLU114 4.1 22.5 1.0 CG A:HIS69 4.1 18.4 1.0 ND1 A:HIS25 4.1 15.6 1.0 OE1 A:GLU116 4.2 19.0 1.0 CG A:HIS32 4.2 18.2 1.0 CG A:HIS25 4.2 20.7 1.0 C10 A:EIP301 4.4 35.8 1.0 CB A:GLU114 5.0 15.0 1.0

Manganese binding site 2 out of 2 in the Isopentenylpyrophosphate-Dimethylallylpyrophosphate Isomerase in Complex with the Bromohydrine of Ipp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Isopentenylpyrophosphate-Dimethylallylpyrophosphate Isomerase in Complex with the Bromohydrine of Ipp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:24.7 occ:1.00 NE2 B:HIS25 1.8 43.2 1.0 NE2 B:HIS32 2.0 39.5 1.0 NE2 B:HIS69 2.1 26.8 1.0 OE1 B:GLU114 2.3 26.0 1.0 OE2 B:GLU114 2.3 33.7 1.0 OE2 B:GLU116 2.4 29.1 1.0 CD B:GLU114 2.6 31.3 1.0 CE1 B:HIS25 2.7 36.6 1.0 CE1 B:HIS32 2.8 36.1 1.0 CD2 B:HIS25 2.9 41.1 1.0 CD2 B:HIS69 3.1 21.1 1.0 CE1 B:HIS69 3.1 26.9 1.0 CD2 B:HIS32 3.1 35.8 1.0 CD B:GLU116 3.3 34.8 1.0 CG B:GLU116 3.8 23.9 1.0 ND1 B:HIS25 3.8 33.3 1.0 CG B:HIS25 3.9 34.1 1.0 ND1 B:HIS32 4.0 32.8 1.0 CG B:GLU114 4.1 32.0 1.0 CG B:HIS32 4.2 37.8 1.0 ND1 B:HIS69 4.2 19.2 1.0 CG B:HIS69 4.2 20.5 1.0 OE1 B:GLU116 4.3 30.8 1.0 C10 B:EIP301 4.7 52.7 1.0 CG1 B:VAL6 4.8 30.4 1.0 CB B:GLU114 5.0 21.6 1.0

J.Wouters, F.Yin, Y.Song, Y.Zhang, Y.Oudjama, V.Stalon, L.Droogmans, C.T.Morita, E.Oldfield. A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase J.Am.Chem.Soc. V. 127 536 2005.
ISSN: ISSN 0002-7863
PubMed: 15643873
DOI: 10.1021/JA040207I