Magnesium 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
Manganese	(Mn)	2 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ipp Isomerase (Wt) Reacted with (S)-Bromohydrine of Ipp, PDB code: 1x84:
Jump to Magnesium binding site number: 1; 2;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg401 b:18.8 occ:1.00 O6 A:SBH301 1.9 23.8 0.3 O A:HOH6003 2.0 19.9 1.0 O3 A:SBH301 2.1 12.8 0.7 OE2 A:GLU87 2.1 16.8 1.0 O6 A:SBH301 2.2 13.9 0.7 O A:HOH6004 2.2 19.8 1.0 O A:CYS67 2.2 16.3 1.0 O3 A:SBH301 2.5 25.8 0.3 CD A:GLU87 3.0 23.4 1.0 P2 A:SBH301 3.2 25.2 0.3 OE1 A:GLU87 3.2 22.5 1.0 P1 A:SBH301 3.3 20.6 0.7 C A:CYS67 3.4 21.0 1.0 P2 A:SBH301 3.4 19.9 0.7 O4 A:SBH301 3.4 17.3 0.7 P1 A:SBH301 3.5 13.7 0.3 O4 A:SBH301 3.5 21.1 0.3 O7 A:SBH301 3.6 29.3 0.3 N A:CYS67 4.0 16.4 1.0 O1 A:SBH301 4.0 18.6 0.7 O7 A:SBH301 4.0 22.1 0.7 O1 A:SBH301 4.1 19.0 0.3 CA A:CYS67 4.2 16.5 1.0 NH2 A:ARG83 4.2 21.2 1.0 O5 A:SBH301 4.3 23.7 0.3 N A:GLY68 4.3 18.9 1.0 OE1 A:GLU135 4.3 18.0 1.0 O2 A:SBH301 4.3 16.8 0.7 NE A:ARG83 4.4 21.2 1.0 CG A:GLU87 4.4 18.6 1.0 O A:HOH8010 4.4 23.5 1.0 CA A:GLY68 4.4 17.1 1.0 O5 A:SBH301 4.4 20.7 0.7 O A:HOH6005 4.4 17.8 1.0 NH1 A:ARG51 4.5 15.4 1.0 O2 A:SBH301 4.7 17.2 0.3 NZ A:LYS55 4.7 21.8 1.0 CB A:CYS67 4.7 18.6 1.0 CZ A:ARG83 4.8 19.9 1.0 CE A:LYS55 5.0 21.2 1.0 CG2 A:VAL66 5.0 27.4 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg401 b:21.3 occ:1.00 O6 B:SBH301 2.0 22.8 1.0 O3 B:SBH301 2.1 20.1 1.0 OE2 B:GLU87 2.1 23.3 1.0 O B:HOH6014 2.2 17.5 1.0 O B:CYS67 2.3 16.1 1.0 O B:HOH6015 2.3 18.5 1.0 CD B:GLU87 3.0 22.4 1.0 P1 B:SBH301 3.3 27.9 1.0 P2 B:SBH301 3.3 25.4 1.0 OE1 B:GLU87 3.3 21.2 1.0 C B:CYS67 3.4 22.1 1.0 O4 B:SBH301 3.5 23.0 1.0 O7 B:SBH301 4.0 28.6 1.0 N B:CYS67 4.0 15.9 1.0 O1 B:SBH301 4.0 30.4 1.0 CA B:CYS67 4.2 17.1 1.0 NE B:ARG83 4.2 16.9 1.0 NH2 B:ARG83 4.2 25.5 1.0 O5 B:SBH301 4.3 26.3 1.0 N B:GLY68 4.3 18.0 1.0 CA B:GLY68 4.3 21.6 1.0 O2 B:SBH301 4.4 25.0 1.0 CG B:GLU87 4.4 18.5 1.0 O B:HOH6012 4.4 18.1 1.0 OE1 B:GLU135 4.4 23.4 1.0 O B:HOH6008 4.4 20.0 1.0 NH1 B:ARG51 4.5 15.1 1.0 NZ B:LYS55 4.7 25.5 1.0 CB B:CYS67 4.7 34.8 1.0 CZ B:ARG83 4.7 21.8 1.0 CE B:LYS55 4.8 34.2 1.0 CG2 B:VAL66 5.0 25.1 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