Manganese in PDB 1x84: Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp

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

The structure of Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp, PDB code: 1x84 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 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.090, 71.880, 92.730, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.2

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

Bromine	(Br)	1 atom
Magnesium	(Mg)	2 atoms

The binding sites of Manganese atom in the Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp (pdb code 1x84). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp, PDB code: 1x84:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Ipp Isomerase (Wt) 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 Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:16.3 occ:1.00 NE2 A:HIS25 2.0 15.0 1.0 NE2 A:HIS69 2.1 19.6 1.0 OE2 A:GLU116 2.1 21.6 1.0 OE1 A:GLU114 2.1 21.4 1.0 NE2 A:HIS32 2.1 18.5 1.0 OE2 A:GLU114 2.2 20.8 1.0 CD A:GLU114 2.5 25.2 1.0 CE1 A:HIS69 2.9 21.1 1.0 CE1 A:HIS32 3.0 22.9 1.0 CD2 A:HIS25 3.0 18.6 1.0 CE1 A:HIS25 3.1 15.1 1.0 CD2 A:HIS69 3.2 22.7 1.0 CD A:GLU116 3.2 26.1 1.0 CD2 A:HIS32 3.3 23.3 1.0 CG A:GLU116 3.9 22.2 1.0 CG A:GLU114 4.0 18.6 1.0 ND1 A:HIS69 4.1 20.4 1.0 ND1 A:HIS32 4.1 18.7 1.0 ND1 A:HIS25 4.2 22.0 1.0 CG A:HIS25 4.2 21.3 1.0 OE1 A:GLU116 4.2 33.7 1.0 CG A:HIS69 4.3 20.1 1.0 O A:HOH8009 4.3 23.0 1.0 CG A:HIS32 4.3 18.5 1.0 C1 A:SBH301 4.4 27.8 0.7 O8 A:SBH301 4.5 9.0 0.3 C1 A:SBH301 4.6 26.9 0.3 C4 A:SBH301 4.7 25.3 0.7 C2 A:SBH301 4.7 31.1 0.7 CB A:GLU114 4.8 22.0 1.0 C2 A:SBH301 4.9 29.9 0.3 CG1 A:VAL6 4.9 19.1 1.0

Manganese binding site 2 out of 2 in the Ipp Isomerase (Wt) 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 Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:20.4 occ:1.00 NE2 B:HIS69 2.0 25.9 1.0 OE2 B:GLU116 2.0 25.8 1.0 OE2 B:GLU114 2.0 23.3 1.0 NE2 B:HIS25 2.1 26.5 1.0 NE2 B:HIS32 2.1 29.7 1.0 OE1 B:GLU114 2.2 22.8 1.0 CD B:GLU114 2.5 16.5 1.0 CE1 B:HIS69 2.9 27.3 1.0 CE1 B:HIS25 3.1 32.9 1.0 CD2 B:HIS25 3.1 36.6 1.0 CD2 B:HIS69 3.1 26.5 1.0 CD2 B:HIS32 3.1 28.0 1.0 CE1 B:HIS32 3.1 28.8 1.0 CD B:GLU116 3.1 31.0 1.0 CG B:GLU116 3.8 28.9 1.0 CG B:GLU114 4.0 19.6 1.0 ND1 B:HIS69 4.1 26.7 1.0 OE1 B:GLU116 4.1 30.2 1.0 ND1 B:HIS25 4.2 36.6 1.0 CG B:HIS69 4.2 23.1 1.0 CG B:HIS25 4.2 31.5 1.0 ND1 B:HIS32 4.2 24.2 1.0 CG B:HIS32 4.3 25.4 1.0 C1 B:SBH301 4.4 38.8 1.0 C2 B:SBH301 4.5 46.0 1.0 CG1 B:VAL6 4.8 33.6 1.0 CB B:GLU114 4.8 14.6 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