Manganese in PDB 1x83: Y104F Ipp Isomerase Reacted with (S)-Bromohydrine of Ipp

All present enzymatic activity of Y104F Ipp Isomerase Reacted with (S)-Bromohydrine of Ipp:
5.3.3.2;

The structure of Y104F Ipp Isomerase Reacted with (S)-Bromohydrine of Ipp, PDB code: 1x83 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 / 1.80
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 (%)	22.8 / 27.1

The structure of Y104F Ipp Isomerase Reacted with (S)-Bromohydrine of Ipp also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Manganese atom in the Y104F Ipp Isomerase Reacted with (S)-Bromohydrine of Ipp (pdb code 1x83). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Y104F Ipp Isomerase Reacted with (S)-Bromohydrine of Ipp, PDB code: 1x83:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Y104F Ipp Isomerase Reacted with (S)-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 Y104F Ipp Isomerase Reacted with (S)-Bromohydrine of Ipp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:17.2 occ:1.00 NE2 A:HIS69 2.1 19.1 1.0 NE2 A:HIS25 2.1 24.0 1.0 OE2 A:GLU116 2.1 23.0 1.0 NE2 A:HIS32 2.1 17.5 1.0 OE1 A:GLU114 2.2 20.2 1.0 OE2 A:GLU114 2.2 27.9 1.0 CD A:GLU114 2.5 23.8 1.0 CE1 A:HIS32 2.9 24.0 1.0 CD2 A:HIS25 3.0 26.5 1.0 CD2 A:HIS69 3.0 20.2 1.0 CE1 A:HIS69 3.1 17.1 1.0 CE1 A:HIS25 3.2 19.5 1.0 CD A:GLU116 3.2 29.7 1.0 CD2 A:HIS32 3.3 22.5 1.0 CG A:GLU116 3.8 28.9 1.0 CG A:GLU114 4.0 18.4 1.0 O A:HOH591 4.1 27.6 1.0 ND1 A:HIS32 4.1 21.4 1.0 CG A:HIS25 4.2 19.4 1.0 CG A:HIS69 4.2 19.8 1.0 ND1 A:HIS69 4.2 18.1 1.0 ND1 A:HIS25 4.2 22.5 1.0 OE1 A:GLU116 4.2 21.9 1.0 CG A:HIS32 4.3 21.6 1.0 C1 A:SBH301 4.5 23.1 1.0 CG1 A:VAL6 4.8 22.5 1.0 CB A:GLU114 4.9 20.3 1.0

Manganese binding site 2 out of 2 in the Y104F Ipp Isomerase Reacted with (S)-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 Y104F Ipp Isomerase Reacted with (S)-Bromohydrine of Ipp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:23.2 occ:1.00 NE2 B:HIS69 2.0 25.3 1.0 NE2 B:HIS25 2.0 26.8 1.0 NE2 B:HIS32 2.1 26.6 1.0 OE1 B:GLU114 2.2 21.7 1.0 OE2 B:GLU114 2.3 32.7 1.0 OE2 B:GLU116 2.4 28.1 1.0 CD B:GLU114 2.6 18.7 1.0 CE1 B:HIS69 2.9 28.4 1.0 CD2 B:HIS25 2.9 24.2 1.0 CE1 B:HIS25 3.0 27.0 1.0 CD2 B:HIS69 3.0 25.8 1.0 CE1 B:HIS32 3.0 27.8 1.0 CD2 B:HIS32 3.2 28.3 1.0 CD B:GLU116 3.4 28.4 1.0 CG B:GLU116 3.8 28.5 1.0 ND1 B:HIS69 4.0 28.4 1.0 CG B:HIS25 4.1 23.7 1.0 ND1 B:HIS25 4.1 27.5 1.0 CG B:HIS69 4.1 21.4 1.0 CG B:GLU114 4.1 25.2 1.0 ND1 B:HIS32 4.2 30.8 1.0 CG B:HIS32 4.3 32.1 1.0 OE1 B:GLU116 4.4 35.2 1.0 CG1 B:VAL6 4.8 23.6 1.0 C1 B:SBH301 4.9 66.0 0.0 CB B:GLU114 5.0 17.9 1.0 C2 B:SBH301 5.0 65.6 0.0

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