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Magnesium in PDB 4as4: Structure of Human Inositol Monophosphatase 1

Enzymatic activity of Structure of Human Inositol Monophosphatase 1

All present enzymatic activity of Structure of Human Inositol Monophosphatase 1:
3.1.3.25;

Protein crystallography data

The structure of Structure of Human Inositol Monophosphatase 1, PDB code: 4as4 was solved by N.Singh, M.Knight, A.C.Halliday, N.A.Lack, E.D.Lowe, G.C.Churchill, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.93 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.613, 76.199, 117.648, 90.00, 90.00, 90.00
R / Rfree (%) 15.24 / 18.62

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Human Inositol Monophosphatase 1 (pdb code 4as4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Structure of Human Inositol Monophosphatase 1, PDB code: 4as4:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 4as4

Go back to Magnesium Binding Sites List in 4as4
Magnesium binding site 1 out of 6 in the Structure of Human Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Human Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:24.6
occ:1.00
 OE1 A:GLU70 2.0 22.9 1.0
O A:ILE92 2.1 21.0 1.0
OD1 A:ASP90 2.1 21.2 1.0
O1 A:PO4401 2.1 22.4 1.0
O2 A:PO4401 2.2 21.7 1.0
O A:HOH2091 2.2 22.5 1.0
P A:PO4401 2.7 24.5 1.0
CD A:GLU70 3.1 26.2 1.0
CG A:ASP90 3.1 24.0 1.0
C A:ILE92 3.1 20.8 1.0
OD2 A:ASP90 3.4 21.9 1.0
OE2 A:GLU70 3.4 28.6 1.0
MG A:MG502 3.7 23.2 1.0
O4 A:PO4401 3.8 25.3 1.0
MG A:MG503 3.8 28.8 1.0
O3 A:PO4401 3.8 24.6 1.0
N A:ASP93 3.9 16.6 1.0
OG1 A:THR95 3.9 22.1 1.0
CA A:ASP93 3.9 17.3 1.0
O A:HOH2126 4.0 31.1 1.0
N A:ILE92 4.0 18.6 1.0
CA A:ILE92 4.1 17.8 1.0
OD2 A:ASP47 4.2 25.2 1.0
OE2 A:GLU71 4.2 28.8 1.0
CG A:GLU70 4.4 23.4 1.0
O A:HOH2068 4.4 25.4 1.0
CB A:ASP90 4.5 20.9 1.0
CD A:PRO91 4.5 22.0 1.0
CB A:GLU70 4.7 24.1 1.0
CB A:ILE92 4.7 21.5 1.0
CA A:ASP90 4.7 20.8 1.0
N A:PRO91 4.7 20.2 1.0
CG A:PRO91 4.8 25.8 1.0
OD1 A:ASP93 4.8 20.3 1.0
C A:ASP90 4.8 22.7 1.0
N A:GLY94 4.8 18.4 1.0
CB A:ASP93 4.8 18.1 1.0
C A:ASP93 4.9 19.5 1.0

Magnesium binding site 2 out of 6 in 4as4

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Magnesium binding site 2 out of 6 in the Structure of Human Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Human Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:23.2
occ:1.00
 OD2 A:ASP90 2.0 21.9 1.0
O1 A:PO4401 2.0 22.4 1.0
OD1 A:ASP220 2.0 24.9 1.0
OD1 A:ASP93 2.0 20.3 1.0
O3 A:GOL1277 2.3 28.2 1.0
O A:HOH2126 2.4 31.1 1.0
CG A:ASP90 3.1 24.0 1.0
CG A:ASP93 3.1 19.6 1.0
CG A:ASP220 3.2 26.0 1.0
P A:PO4401 3.3 24.5 1.0
C3 A:GOL1277 3.5 36.0 1.0
OD1 A:ASP90 3.6 21.2 1.0
MG A:MG501 3.7 24.6 1.0
CB A:ASP93 3.7 18.1 1.0
O4 A:PO4401 3.7 25.3 1.0
CA A:ASP93 3.8 17.3 1.0
O2 A:GOL1277 3.9 28.2 1.0
OD2 A:ASP220 4.0 27.3 1.0
O3 A:PO4401 4.0 24.6 1.0
O A:HOH2257 4.1 31.5 1.0
OE1 A:GLU70 4.1 22.9 1.0
OD2 A:ASP93 4.1 24.2 1.0
CD1 A:TRP219 4.2 25.8 1.0
CB A:ASP220 4.2 23.8 1.0
C2 A:GOL1277 4.3 36.1 1.0
CB A:ASP90 4.3 20.9 1.0
NE1 A:TRP219 4.3 26.4 1.0
CA A:ASP220 4.4 21.8 1.0
O2 A:PO4401 4.4 21.7 1.0
O A:ILE92 4.6 21.0 1.0
N A:GLY94 4.7 18.4 1.0
C A:ASP93 4.7 19.5 1.0
CD A:GLU70 4.8 26.2 1.0
N A:ASP93 4.8 16.6 1.0
N A:ASP220 4.9 22.3 1.0

Magnesium binding site 3 out of 6 in 4as4

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Magnesium binding site 3 out of 6 in the Structure of Human Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Human Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:28.8
occ:1.00
 OE2 A:GLU70 2.0 28.6 1.0
O A:HOH2069 2.1 30.8 1.0
O A:HOH2086 2.1 25.4 1.0
O A:HOH2068 2.1 25.4 1.0
O4 A:PO4401 2.2 25.3 1.0
O2 A:PO4401 2.3 21.7 1.0
P A:PO4401 2.8 24.5 1.0
CD A:GLU70 3.2 26.2 1.0
OE1 A:GLU70 3.6 22.9 1.0
O A:LEU42 3.8 28.8 1.0
MG A:MG501 3.8 24.6 1.0
NZ A:LYS36 3.8 38.1 1.0
O1 A:PO4401 3.8 22.4 1.0
O3 A:PO4401 3.9 24.6 1.0
O A:HOH2127 4.0 52.2 1.0
OE2 A:GLU71 4.1 28.8 1.0
OG1 A:THR95 4.1 22.1 1.0
O A:HOH2126 4.1 31.1 1.0
OD1 A:ASP41 4.2 38.5 1.0
O A:HOH2292 4.2 26.8 1.0
O A:HOH2091 4.3 22.5 1.0
O A:HOH2079 4.4 48.0 1.0
CG A:GLU70 4.4 23.4 1.0
CB A:THR95 4.5 21.2 1.0
CD A:LYS36 4.6 44.5 1.0
CE A:LYS36 4.7 47.8 1.0
O A:HOH2076 4.8 26.8 1.0
C A:LEU42 5.0 29.1 1.0

Magnesium binding site 4 out of 6 in 4as4

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Magnesium binding site 4 out of 6 in the Structure of Human Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Human Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:19.4
occ:1.00
 OD1 B:ASP90 2.0 17.2 1.0
O B:ILE92 2.0 17.9 1.0
OE1 B:GLU70 2.1 21.2 1.0
O B:HOH2080 2.2 18.7 1.0
O2 B:PO4401 2.2 18.9 1.0
O3 B:PO4401 2.3 20.7 1.0
P B:PO4401 2.8 23.7 1.0
CG B:ASP90 2.9 18.8 1.0
C B:ILE92 3.0 18.0 1.0
CD B:GLU70 3.1 27.4 1.0
OD2 B:ASP90 3.2 19.9 1.0
OE2 B:GLU70 3.6 22.1 1.0
MG B:MG502 3.6 20.9 1.0
N B:ASP93 3.8 16.6 1.0
MG B:MG503 3.8 25.2 1.0
CA B:ASP93 3.8 17.1 1.0
O4 B:PO4401 3.8 21.0 1.0
O1 B:PO4401 3.9 22.3 1.0
OG1 B:THR95 3.9 22.7 1.0
N B:ILE92 3.9 18.4 1.0
O B:HOH2121 4.0 27.8 1.0
CA B:ILE92 4.1 17.0 1.0
OE2 B:GLU71 4.3 27.6 1.0
CB B:ASP90 4.3 18.8 1.0
OD2 B:ASP47 4.4 25.5 1.0
CG B:GLU70 4.4 22.8 1.0
O B:HOH2064 4.5 20.3 1.0
CD B:PRO91 4.5 18.3 1.0
CA B:ASP90 4.6 18.3 1.0
N B:PRO91 4.6 16.9 1.0
C B:ASP90 4.7 19.6 1.0
CB B:GLU70 4.7 19.1 1.0
CB B:ILE92 4.7 19.7 1.0
OD1 B:ASP93 4.7 17.4 1.0
CB B:ASP93 4.7 17.9 1.0
N B:GLY94 4.8 16.9 1.0
CG B:PRO91 4.8 22.9 1.0
C B:ASP93 4.9 19.1 1.0

Magnesium binding site 5 out of 6 in 4as4

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Magnesium binding site 5 out of 6 in the Structure of Human Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure of Human Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:20.9
occ:1.00
 O2 B:PO4401 1.9 18.9 1.0
OD1 B:ASP220 2.0 20.0 1.0
OD2 B:ASP90 2.0 19.9 1.0
OD1 B:ASP93 2.0 17.4 1.0
O1 B:GOL1277 2.3 22.9 1.0
O B:HOH2121 2.5 27.8 1.0
CG B:ASP90 3.1 18.8 1.0
CG B:ASP93 3.1 19.0 1.0
CG B:ASP220 3.2 19.9 1.0
P B:PO4401 3.2 23.7 1.0
C1 B:GOL1277 3.6 27.8 1.0
MG B:MG501 3.6 19.4 1.0
OD1 B:ASP90 3.6 17.2 1.0
O4 B:PO4401 3.6 21.0 1.0
CB B:ASP93 3.7 17.9 1.0
CA B:ASP93 3.8 17.1 1.0
O2 B:GOL1277 3.8 25.6 1.0
OD2 B:ASP220 3.9 20.4 1.0
O B:HOH2245 3.9 28.1 1.0
O1 B:PO4401 4.0 22.3 1.0
OE1 B:GLU70 4.0 21.2 1.0
CD1 B:TRP219 4.1 21.7 1.0
CB B:ASP220 4.2 16.9 1.0
OD2 B:ASP93 4.2 20.1 1.0
C2 B:GOL1277 4.3 30.6 1.0
NE1 B:TRP219 4.3 22.0 1.0
CB B:ASP90 4.3 18.8 1.0
O3 B:PO4401 4.4 20.7 1.0
CA B:ASP220 4.4 15.4 1.0
O B:ILE92 4.6 17.9 1.0
N B:GLY94 4.7 16.9 1.0
C B:ASP93 4.7 19.1 1.0
CD B:GLU70 4.8 27.4 1.0
N B:ASP93 4.8 16.6 1.0
N B:ASP220 4.9 16.8 1.0

Magnesium binding site 6 out of 6 in 4as4

Go back to Magnesium Binding Sites List in 4as4
Magnesium binding site 6 out of 6 in the Structure of Human Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structure of Human Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg503

b:25.2
occ:1.00
 OE2 B:GLU70 2.0 22.1 1.0
O B:HOH2073 2.1 22.2 1.0
O B:HOH2064 2.1 20.3 1.0
O B:HOH2065 2.1 24.7 1.0
O4 B:PO4401 2.1 21.0 1.0
O3 B:PO4401 2.2 20.7 1.0
P B:PO4401 2.7 23.7 1.0
CD B:GLU70 3.1 27.4 1.0
OE1 B:GLU70 3.5 21.2 1.0
O2 B:PO4401 3.7 18.9 1.0
MG B:MG501 3.8 19.4 1.0
O1 B:PO4401 3.8 22.3 1.0
O B:LEU42 3.9 24.2 1.0
NZ B:LYS36 3.9 24.7 1.0
O B:HOH2121 3.9 27.8 1.0
OE2 B:GLU71 4.0 27.6 1.0
O B:HOH2296 4.1 29.8 1.0
O B:HOH2122 4.1 38.4 1.0
OD1 B:ASP41 4.1 31.2 1.0
OG1 B:THR95 4.1 22.7 1.0
O B:HOH2080 4.3 18.7 1.0
CG B:GLU70 4.4 22.8 1.0
O B:HOH2074 4.6 45.5 1.0
CE B:LYS36 4.6 36.0 1.0
CB B:THR95 4.6 19.6 1.0
CD B:LYS36 4.7 32.5 1.0
O B:HOH2071 4.9 25.2 1.0

Reference:

N.Singh, A.C.Halliday, M.Knight, N.A.Lack, E.D.Lowe, G.C.Churchill. Cloning, Expression, Purification, Crystallization and X- Ray Analysis of Inositol Monophosphatase From Mus Musculus and Homo Sapiens. Acta Crystallogr.,Sect.F V. 68 1149 2012.
ISSN: ISSN 1744-3091
PubMed: 23027737
DOI: 10.1107/S1744309112035191
Page generated: Mon Aug 11 05:49:10 2025

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