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Magnesium in PDB 2bji: High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy

Enzymatic activity of High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy

All present enzymatic activity of High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy:
3.1.3.25;

Protein crystallography data

The structure of High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy, PDB code: 2bji was solved by R.Gill, F.Mohammed, R.Badyal, L.Coates, P.Erskine, D.Thompson, J.Cooper, M.Gore, S.Wood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.24
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 47.230, 55.150, 60.880, 67.22, 69.65, 85.14
R / Rfree (%) 15.3 / 19.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy (pdb code 2bji). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy, PDB code: 2bji:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 2bji

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Magnesium binding site 1 out of 6 in the High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2277

b:10.2
occ:1.00
 OE1 A:GLU1070 2.0 11.3 1.0
O A:HOH2081 2.1 14.2 1.0
OD1 A:ASP1090 2.1 11.4 1.0
O A:HOH2082 2.1 11.6 1.0
O A:ILE1092 2.1 9.6 1.0
O A:HOH2086 2.1 11.8 1.0
CD A:GLU1070 3.1 10.0 1.0
CG A:ASP1090 3.1 14.8 1.0
C A:ILE1092 3.1 10.2 1.0
OD2 A:ASP1090 3.4 16.0 1.0
OE2 A:GLU1070 3.5 12.2 1.0
MG A:MG2278 3.6 15.5 1.0
MG A:MG2279 3.6 22.4 1.0
O A:HOH2064 3.7 28.2 1.0
O A:HOH2085 3.8 16.9 1.0
N A:ASP1093 3.9 10.1 1.0
CA A:ASP1093 4.0 12.1 1.0
O A:HOH2184 4.1 21.7 1.0
N A:ILE1092 4.1 9.7 1.0
OG1 A:THR1095 4.1 17.9 1.0
CA A:ILE1092 4.2 8.6 1.0
O A:HOH2066 4.2 19.2 1.0
OE2 A:GLU1071 4.2 11.9 1.0
OD2 A:ASP1047 4.2 13.2 1.0
O A:HOH2083 4.3 37.1 1.0
CG A:GLU1070 4.3 8.6 1.0
CD A:PRO1091 4.4 10.2 1.0
CB A:ASP1090 4.4 11.6 1.0
CB A:GLU1070 4.7 9.1 1.0
N A:PRO1091 4.7 10.0 1.0
CA A:ASP1090 4.7 9.3 1.0
OD1 A:ASP1093 4.7 19.1 1.0
CB A:ILE1092 4.8 10.4 1.0
C A:ASP1090 4.8 10.1 1.0
CG A:PRO1091 4.8 10.8 1.0
CB A:ASP1093 4.9 15.3 1.0
N A:GLY1094 5.0 12.2 1.0

Magnesium binding site 2 out of 6 in 2bji

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Magnesium binding site 2 out of 6 in the High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2278

b:15.5
occ:1.00
 OD2 A:ASP1090 1.8 16.0 1.0
O A:HOH2081 1.8 14.2 1.0
OD1 A:ASP1093 1.9 19.1 1.0
OD1 A:ASP1220 2.1 15.4 1.0
O A:HOH2083 2.3 37.1 1.0
O A:HOH2184 2.8 21.7 1.0
CG A:ASP1093 2.9 19.7 1.0
CG A:ASP1090 3.0 14.8 1.0
CG A:ASP1220 3.3 12.0 1.0
OD1 A:ASP1090 3.4 11.4 1.0
MG A:MG2277 3.6 10.2 1.0
O A:HOH2064 3.6 28.2 1.0
CB A:ASP1093 3.6 15.3 1.0
CA A:ASP1093 3.7 12.1 1.0
O A:HOH2084 3.8 24.9 1.0
O A:HOH2085 3.8 16.9 1.0
OD2 A:ASP1093 4.0 18.5 1.0
OE1 A:GLU1070 4.1 11.3 1.0
OD2 A:ASP1220 4.1 15.8 1.0
CD1 A:TRP1219 4.2 12.2 1.0
CB A:ASP1090 4.2 11.6 1.0
CB A:ASP1220 4.2 13.2 1.0
CA A:ASP1220 4.3 11.2 1.0
O A:HOH2242 4.3 36.2 1.0
O A:HOH2086 4.3 11.8 1.0
O A:ILE1092 4.4 9.6 1.0
O A:HOH2183 4.5 50.0 1.0
NE1 A:TRP1219 4.5 13.3 1.0
N A:GLY1094 4.6 12.2 1.0
N A:ASP1093 4.7 10.1 1.0
C A:ASP1093 4.7 12.9 1.0
N A:ASP1220 4.8 10.8 1.0
CD A:GLU1070 4.8 10.0 1.0
C A:ILE1092 4.9 10.2 1.0

Magnesium binding site 3 out of 6 in 2bji

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Magnesium binding site 3 out of 6 in the High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2279

b:22.4
occ:1.00
 O A:HOH2033 2.0 26.6 1.0
O A:HOH2064 2.0 28.2 1.0
OE2 A:GLU1070 2.1 12.2 1.0
O A:HOH2086 2.2 11.8 1.0
O A:HOH2034 2.2 25.0 1.0
O A:HOH2066 2.3 19.2 1.0
CD A:GLU1070 3.1 10.0 1.0
OE1 A:GLU1070 3.5 11.3 1.0
MG A:MG2277 3.6 10.2 1.0
O A:HOH2085 3.6 16.9 1.0
O A:HOH2081 3.6 14.2 1.0
O A:HOH2184 3.7 21.7 1.0
NZ A:LYS1036 3.8 16.3 1.0
OD1 A:ASP1041 3.8 17.0 1.0
O A:LEU1042 3.9 11.1 1.0
O A:HOH2063 3.9 50.0 1.0
CE A:LYS1036 4.1 18.6 1.0
OG1 A:THR1095 4.1 17.9 1.0
OE2 A:GLU1071 4.2 11.9 1.0
O A:HOH2083 4.2 37.1 1.0
O A:HOH2082 4.3 11.6 1.0
CG A:GLU1070 4.4 8.6 1.0
O A:HOH2242 4.6 36.2 1.0
CB A:THR1095 4.9 13.9 1.0
CG A:ASP1041 4.9 15.0 1.0

Magnesium binding site 4 out of 6 in 2bji

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Magnesium binding site 4 out of 6 in the High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg3277

b:10.1
occ:1.00
 OE1 B:GLU2070 2.0 10.2 1.0
O B:HOH3127 2.0 14.0 1.0
OD1 B:ASP2090 2.0 10.2 1.0
O B:ILE2092 2.1 11.3 1.0
O B:HOH3130 2.1 11.8 1.0
O B:HOH3103 2.1 11.6 1.0
CG B:ASP2090 3.1 11.2 1.0
CD B:GLU2070 3.1 10.7 1.0
C B:ILE2092 3.1 9.8 1.0
OD2 B:ASP2090 3.4 13.5 1.0
OE2 B:GLU2070 3.5 12.1 1.0
MG B:MG3278 3.6 11.4 1.0
MG B:MG3279 3.7 14.3 1.0
O B:HOH3105 3.8 22.2 1.0
O B:HOH3129 3.8 15.9 1.0
N B:ASP2093 3.9 11.6 1.0
CA B:ASP2093 3.9 10.3 1.0
N B:ILE2092 4.0 9.7 1.0
OG1 B:THR2095 4.1 14.9 1.0
CA B:ILE2092 4.2 10.5 1.0
OE2 B:GLU2071 4.2 11.6 1.0
OD2 B:ASP2047 4.3 13.7 1.0
O B:HOH3107 4.4 14.7 1.0
CB B:ASP2090 4.4 10.5 1.0
CG B:GLU2070 4.4 10.0 1.0
CD B:PRO2091 4.4 12.4 1.0
O B:HOH3223 4.7 29.2 1.0
O B:HOH3221 4.7 27.4 1.0
CB B:GLU2070 4.7 9.1 1.0
CA B:ASP2090 4.7 10.5 1.0
N B:PRO2091 4.7 9.2 1.0
C B:ASP2090 4.8 9.6 1.0
CB B:ILE2092 4.8 11.4 1.0
CG B:PRO2091 4.8 11.2 1.0
CB B:ASP2093 4.8 11.8 1.0
OD1 B:ASP2093 4.8 15.2 1.0
N B:GLY2094 4.9 12.0 1.0
C B:ASP2093 5.0 10.6 1.0

Magnesium binding site 5 out of 6 in 2bji

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Magnesium binding site 5 out of 6 in the High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg3278

b:11.4
occ:1.00
 OD2 B:ASP2090 1.8 13.5 1.0
OD1 B:ASP2093 2.0 15.2 1.0
OD1 B:ASP2220 2.0 16.5 1.0
O B:HOH3127 2.0 14.0 1.0
O B:HOH3223 2.7 29.2 1.0
CG B:ASP2090 2.9 11.2 1.0
CG B:ASP2093 2.9 15.4 1.0
CG B:ASP2220 3.2 15.1 1.0
OD1 B:ASP2090 3.4 10.2 1.0
CB B:ASP2093 3.5 11.8 1.0
MG B:MG3277 3.6 10.1 1.0
O B:HOH3221 3.6 27.4 1.0
CA B:ASP2093 3.6 10.3 1.0
O B:HOH3105 3.8 22.2 1.0
O B:HOH3128 3.9 24.4 1.0
O B:HOH3129 3.9 15.9 1.0
OD2 B:ASP2093 4.0 15.7 1.0
CB B:ASP2220 4.0 13.8 1.0
OD2 B:ASP2220 4.1 13.6 1.0
OE1 B:GLU2070 4.1 10.2 1.0
CA B:ASP2220 4.2 11.9 1.0
CB B:ASP2090 4.2 10.5 1.0
CD1 B:TRP2219 4.2 10.2 1.0
O B:HOH3130 4.4 11.8 1.0
O B:HOH3224 4.4 47.7 1.0
O B:ILE2092 4.4 11.3 1.0
N B:ASP2093 4.6 11.6 1.0
NE1 B:TRP2219 4.6 11.2 1.0
N B:GLY2094 4.6 12.0 1.0
C B:ASP2093 4.6 10.6 1.0
N B:ASP2220 4.7 10.2 1.0
CD B:GLU2070 4.9 10.7 1.0
C B:ILE2092 4.9 9.8 1.0

Magnesium binding site 6 out of 6 in 2bji

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Magnesium binding site 6 out of 6 in the High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of High Resolution Structure of Myo-Inositol Monophosphatase, the Target of Lithium Therapy within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg3279

b:14.3
occ:1.00
 OE2 B:GLU2070 2.0 12.1 1.0
O B:HOH3105 2.1 22.2 1.0
O B:HOH3077 2.1 19.4 1.0
O B:HOH3078 2.1 16.7 1.0
O B:HOH3107 2.1 14.7 1.0
O B:HOH3130 2.2 11.8 1.0
CD B:GLU2070 3.1 10.7 1.0
OE1 B:GLU2070 3.5 10.2 1.0
O B:HOH3127 3.7 14.0 1.0
MG B:MG3277 3.7 10.1 1.0
O B:HOH3129 3.7 15.9 1.0
NZ B:LYS2036 3.8 16.0 1.0
O B:HOH3221 3.8 27.4 1.0
O B:LEU2042 3.8 12.3 1.0
OD1 B:ASP2041 4.0 19.4 1.0
OE2 B:GLU2071 4.1 11.6 1.0
OG1 B:THR2095 4.2 14.9 1.0
O B:HOH3102 4.3 50.0 1.0
O B:HOH3103 4.4 11.6 1.0
CG B:GLU2070 4.4 10.0 1.0
O B:HOH3223 4.4 29.2 1.0
CE B:LYS2036 4.6 23.8 1.0
CB B:THR2095 4.8 12.3 1.0

Reference:

R.Gill, F.Mohammed, R.Badyal, L.Coates, P.Erskine, D.Thompson, J.Cooper, M.Gore, S.Wood. High-Resolution Structure of Myo-Inositol Monophosphatase, the Putative Target of Lithium Therapy. Acta Crystallogr. D Biol. V. 61 545 2005CRYSTALLOGR..
ISSN: ISSN 0907-4449
PubMed: 15858264
DOI: 10.1107/S0907444905004038
Page generated: Mon Dec 14 07:17:04 2020

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