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Iodine in PDB 4as5: Structure of Mouse Inositol Monophosphatase 1

Enzymatic activity of Structure of Mouse Inositol Monophosphatase 1

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

Protein crystallography data

The structure of Structure of Mouse Inositol Monophosphatase 1, PDB code: 4as5 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) 43.34 / 2.43
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 86.785, 81.490, 97.139, 90.00, 113.77, 90.00
R / Rfree (%) 16.02 / 21.44

Other elements in 4as5:

The structure of Structure of Mouse Inositol Monophosphatase 1 also contains other interesting chemical elements:

Magnesium (Mg) 12 atoms

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Iodine atom in the Structure of Mouse Inositol Monophosphatase 1 (pdb code 4as5). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 11 binding sites of Iodine where determined in the Structure of Mouse Inositol Monophosphatase 1, PDB code: 4as5:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 11 in 4as5

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Iodine binding site 1 out of 11 in the Structure of Mouse Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Mouse Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1277

b:59.8
occ:0.50
 O A:HOH2118 3.8 46.3 1.0
CG2 A:VAL33 3.8 41.8 1.0
CE1 B:HIS188 3.9 29.1 1.0
CB A:VAL33 4.0 42.7 1.0
CD B:LYS156 4.1 46.8 1.0
O B:HOH2165 4.2 44.3 1.0
CG B:LYS156 4.3 36.4 1.0
CG1 A:VAL99 4.3 26.8 1.0
CB B:LYS156 4.3 29.6 1.0
CG1 A:VAL33 4.3 41.7 1.0
NE2 B:GLN151 4.6 42.7 1.0
NE2 B:HIS188 4.7 30.4 1.0
NZ B:LYS156 4.7 69.5 1.0
ND1 B:HIS188 4.8 28.8 1.0
CE B:LYS156 4.8 55.4 1.0

Iodine binding site 2 out of 11 in 4as5

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Iodine binding site 2 out of 11 in the Structure of Mouse Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of Mouse Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1278

b:75.0
occ:0.50
 O B:HOH2168 3.2 56.6 1.0
OG1 B:THR96 3.8 28.7 1.0
NH2 A:ARG191 3.9 32.9 1.0
O A:HIS188 3.9 27.1 1.0
O B:HOH2114 4.0 19.8 1.0
CB B:THR96 4.1 28.2 1.0
O A:HOH2186 4.1 37.1 1.0
O A:HOH2184 4.1 34.6 1.0
NH1 A:ARG191 4.3 16.4 1.0
CG2 B:THR96 4.4 20.6 1.0
O B:ALA40 4.4 37.6 1.0
C1 B:GOL1279 4.4 58.4 1.0
O A:HOH2188 4.5 25.1 1.0
O B:GLY164 4.5 37.1 1.0
CZ A:ARG191 4.6 31.3 1.0
C B:GLY164 4.6 38.8 1.0
O B:HOH2057 4.7 24.0 1.0
N B:SER165 4.7 36.6 1.0
CA B:SER165 4.8 36.4 1.0
CB B:SER165 4.9 36.0 1.0

Iodine binding site 3 out of 11 in 4as5

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Iodine binding site 3 out of 11 in the Structure of Mouse Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of Mouse Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I1277

b:57.5
occ:0.50
 O A:HOH2159 3.9 58.5 1.0
CE1 A:HIS188 3.9 31.7 1.0
CG2 B:VAL33 4.0 39.5 1.0
O A:HOH2152 4.0 42.2 1.0
CB B:VAL33 4.0 40.6 1.0
CD A:LYS156 4.1 51.5 1.0
CG1 B:VAL33 4.3 38.7 1.0
CG A:LYS156 4.3 46.1 1.0
CB A:LYS156 4.4 32.8 1.0
CG1 B:VAL99 4.5 30.9 1.0
NZ A:LYS156 4.6 77.1 1.0
NE2 A:GLN151 4.6 39.9 1.0
O B:HOH2045 4.7 62.2 1.0
CE A:LYS156 4.7 64.8 1.0
NE2 A:HIS188 4.7 32.4 1.0
ND1 A:HIS188 4.9 30.7 1.0

Iodine binding site 4 out of 11 in 4as5

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Iodine binding site 4 out of 11 in the Structure of Mouse Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of Mouse Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I1278

b:29.4
occ:0.50
 I B:IOD1278 0.0 29.4 0.5
I B:IOD1278 1.1 38.3 0.5
N B:CYS64 3.7 33.1 1.0
CA B:TYR62 3.8 30.8 1.0
CB B:CYS64 3.8 35.3 1.0
CD B:PRO63 3.9 36.1 1.0
N B:PRO63 3.9 33.2 1.0
C B:TYR62 3.9 34.9 1.0
CA B:CYS64 4.3 33.1 1.0
CG B:PRO63 4.4 40.6 1.0
CB B:TYR62 4.4 30.2 1.0
SG B:CYS64 4.5 41.1 1.0
CD2 B:HIS65 4.5 26.4 1.0
O B:TYR62 4.6 35.2 1.0
NE2 B:HIS65 4.6 26.4 1.0
CD1 B:TYR62 4.7 31.8 1.0
C B:PRO63 4.7 38.4 1.0
O B:LYS61 4.7 35.9 1.0
CA B:PRO63 4.8 33.8 1.0
N B:HIS65 5.0 29.2 1.0

Iodine binding site 5 out of 11 in 4as5

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Iodine binding site 5 out of 11 in the Structure of Mouse Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of Mouse Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I1278

b:38.3
occ:0.50
 I B:IOD1278 0.0 38.3 0.5
I B:IOD1278 1.1 29.4 0.5
NE2 B:HIS65 3.8 26.4 1.0
CD2 B:HIS65 3.9 26.4 1.0
CB B:CYS64 4.1 35.3 1.0
CA B:TYR62 4.2 30.8 1.0
N B:CYS64 4.3 33.1 1.0
CB B:TYR62 4.4 30.2 1.0
CD1 B:TYR62 4.4 31.8 1.0
C B:TYR62 4.5 34.9 1.0
CA B:CYS64 4.6 33.1 1.0
N B:PRO63 4.7 33.2 1.0
CE1 B:HIS65 4.7 25.8 1.0
CD B:PRO63 4.8 36.1 1.0
CG B:HIS65 4.8 26.8 1.0
CG B:TYR62 4.9 29.9 1.0
O B:TYR62 4.9 35.2 1.0
SG B:CYS64 4.9 41.1 1.0
N B:HIS65 5.0 29.2 1.0

Iodine binding site 6 out of 11 in 4as5

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Iodine binding site 6 out of 11 in the Structure of Mouse Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of Mouse Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I1277

b:41.6
occ:0.50
 CG2 C:VAL33 3.8 39.9 1.0
CB C:VAL33 3.8 40.7 1.0
O C:HOH2088 3.9 47.3 1.0
CE1 D:HIS188 3.9 34.5 1.0
CG1 C:VAL33 4.0 38.9 1.0
CD D:LYS156 4.3 44.2 1.0
CG1 C:VAL99 4.3 39.7 1.0
CG D:LYS156 4.4 36.9 1.0
O C:HOH2023 4.5 44.5 1.0
CB D:LYS156 4.6 34.2 1.0
NZ D:LYS156 4.6 63.2 1.0
CE D:LYS156 4.6 46.5 1.0
NE2 D:HIS188 4.7 36.3 1.0
ND1 D:HIS188 4.9 34.1 1.0
NE2 D:GLN151 4.9 49.5 1.0

Iodine binding site 7 out of 11 in 4as5

Go back to Iodine Binding Sites List in 4as5
Iodine binding site 7 out of 11 in the Structure of Mouse Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of Mouse Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I1278

b:65.3
occ:0.50
 N C:CYS64 3.5 59.6 1.0
CB C:CYS64 3.6 64.3 1.0
CD2 C:HIS65 4.0 57.0 1.0
C C:TYR62 4.0 58.0 1.0
CA C:CYS64 4.0 60.6 1.0
CA C:TYR62 4.0 54.4 1.0
N C:PRO63 4.0 56.9 1.0
O D:HOH2171 4.1 43.1 1.0
NE2 C:HIS65 4.2 57.0 1.0
CD C:PRO63 4.2 60.4 1.0
CB C:TYR62 4.4 53.6 1.0
N C:HIS65 4.4 55.8 1.0
C C:CYS64 4.5 63.2 1.0
O C:TYR62 4.5 56.0 1.0
SG C:CYS64 4.5 71.2 1.0
C C:PRO63 4.6 61.2 1.0
CG C:PRO63 4.7 65.9 1.0
CA C:PRO63 4.8 56.3 1.0
CG C:HIS65 4.8 54.0 1.0
CD1 C:TYR62 4.9 58.8 1.0

Iodine binding site 8 out of 11 in 4as5

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Iodine binding site 8 out of 11 in the Structure of Mouse Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure of Mouse Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I1277

b:47.8
occ:0.50
 CG2 D:VAL33 3.8 50.7 1.0
CB D:VAL33 3.9 52.4 1.0
CE1 C:HIS188 4.0 38.1 1.0
CD C:LYS156 4.2 47.7 1.0
CG1 D:VAL33 4.2 50.9 1.0
O C:HOH2109 4.3 58.1 1.0
CG C:LYS156 4.4 41.5 1.0
CG1 D:VAL99 4.4 34.2 1.0
CE C:LYS156 4.5 48.7 1.0
CB C:LYS156 4.5 43.3 1.0
O D:HOH2024 4.7 72.3 1.0
NE2 C:HIS188 4.7 39.4 1.0
ND1 C:HIS188 5.0 38.3 1.0

Iodine binding site 9 out of 11 in 4as5

Go back to Iodine Binding Sites List in 4as5
Iodine binding site 9 out of 11 in the Structure of Mouse Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure of Mouse Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I1278

b:70.3
occ:0.50
 CB D:CYS64 3.5 69.4 1.0
N D:CYS64 3.5 65.6 1.0
O D:HOH2019 3.6 51.0 1.0
CD2 D:HIS65 4.0 57.6 1.0
CA D:CYS64 4.0 66.2 1.0
C D:TYR62 4.1 62.1 1.0
CA D:TYR62 4.1 55.2 1.0
N D:PRO63 4.2 59.8 1.0
NE2 D:HIS65 4.2 57.0 1.0
CD D:PRO63 4.4 62.1 1.0
O D:HOH2053 4.4 50.7 1.0
SG D:CYS64 4.4 76.6 1.0
N D:HIS65 4.5 56.9 1.0
C D:CYS64 4.5 65.2 1.0
CB D:TYR62 4.5 54.2 1.0
O D:TYR62 4.6 61.7 1.0
C D:PRO63 4.7 67.5 1.0
CG D:PRO63 4.7 68.3 1.0
CG D:HIS65 4.9 55.1 1.0
CA D:PRO63 4.9 60.9 1.0
CD1 D:TYR62 5.0 58.2 1.0

Iodine binding site 10 out of 11 in 4as5

Go back to Iodine Binding Sites List in 4as5
Iodine binding site 10 out of 11 in the Structure of Mouse Inositol Monophosphatase 1


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure of Mouse Inositol Monophosphatase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I1279

b:29.0
occ:0.50
 I D:IOD1279 0.0 29.0 0.5
I D:IOD1279 1.4 31.7 0.5
O D:HOH2042 3.0 33.1 1.0
CD D:LYS52 4.2 53.1 1.0
O D:GLN48 4.4 41.4 1.0
CB D:GLN48 4.4 36.5 1.0
C D:GLN48 4.5 40.7 1.0
CB D:LYS52 4.6 38.2 1.0
N D:LYS49 4.7 37.9 1.0
CG D:LYS49 4.8 44.4 1.0
CA D:LYS49 4.9 37.7 1.0
CG D:LYS52 4.9 46.8 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: Sun Dec 13 19:32:00 2020

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