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Iodine in PDB 3mxm: TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant

Enzymatic activity of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant

All present enzymatic activity of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant:
3.1.11.2;

Protein crystallography data

The structure of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant, PDB code: 3mxm was solved by S.L.Bailey, T.Hollis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.71 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.468, 86.026, 92.790, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 20.3

Other elements in 3mxm:

The structure of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iodine atom in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant (pdb code 3mxm). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant, PDB code: 3mxm:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in 3mxm

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Iodine binding site 1 out of 12 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I244

b:28.3
occ:0.41
 O B:HOH447 2.4 20.9 1.0
O A:HOH440 3.0 25.3 1.0
N B:ARG62 3.3 13.8 1.0
O B:HOH301 3.6 25.3 1.0
CB B:PRO61 3.6 19.2 1.0
NE2 A:GLN95 3.6 37.9 1.0
O A:HOH410 3.7 24.2 1.0
O B:HOH443 3.8 30.1 1.0
CA B:PRO61 3.8 16.0 1.0
C B:PRO61 3.9 13.5 1.0
N B:VAL63 4.0 11.8 1.0
CB B:ARG62 4.1 14.5 1.0
CA B:ARG62 4.2 15.4 1.0
CB B:ALA43 4.2 28.0 1.0
OE1 A:GLN95 4.3 30.9 1.0
CD A:GLN95 4.4 30.7 1.0
O B:HOH328 4.6 40.2 1.0
CA B:ALA43 4.6 28.9 1.0
C B:ARG62 4.6 11.5 1.0
OE2 A:GLU91 4.7 34.0 1.0
CB B:VAL63 4.8 17.1 1.0
CG B:PRO61 4.9 19.4 1.0
CG2 B:VAL63 4.9 20.1 1.0
CA B:VAL63 4.9 12.9 1.0

Iodine binding site 2 out of 12 in 3mxm

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Iodine binding site 2 out of 12 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I245

b:34.7
occ:0.50
 CB B:GLN213 3.6 31.9 1.0
CB B:LYS211 3.7 21.1 1.0
C B:LYS211 3.7 13.6 1.0
N B:GLN213 3.7 21.1 1.0
N B:ALA214 3.7 19.2 1.0
CA B:LYS211 3.8 16.5 1.0
N B:PRO212 4.0 19.4 1.0
O B:LYS211 4.1 16.4 1.0
CA B:GLN213 4.1 20.9 1.0
CD B:PRO212 4.2 21.4 1.0
CG B:LYS211 4.3 24.2 1.0
O B:HOH315 4.3 35.7 1.0
CB B:ALA214 4.3 22.2 1.0
C B:GLN213 4.4 22.0 1.0
CG B:GLN213 4.5 44.0 1.0
OE1 B:GLN213 4.6 59.0 1.0
CA B:ALA214 4.6 22.9 1.0
C B:PRO212 4.7 22.7 1.0
CD B:LYS211 4.9 23.4 1.0
CA B:PRO212 4.9 22.4 1.0
CD B:GLN213 4.9 53.9 1.0

Iodine binding site 3 out of 12 in 3mxm

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Iodine binding site 3 out of 12 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I246

b:33.7
occ:0.30
 O B:PRO25 2.7 25.7 1.0
O B:HOH250 2.9 36.3 1.0
CD1 B:TYR233 3.6 24.0 1.0
CA B:ARG28 3.7 21.9 1.0
N B:ARG28 3.8 22.0 1.0
CB B:TYR233 3.8 22.8 1.0
C B:PRO25 3.8 26.9 1.0
CG B:ARG28 3.8 38.0 1.0
CG B:MET232 3.9 16.1 1.0
CG B:TYR233 4.0 24.4 1.0
O B:MET232 4.1 23.2 1.0
SD B:MET232 4.3 19.8 1.0
CB B:ARG28 4.3 26.9 1.0
O B:HOH395 4.4 37.0 1.0
CA B:PRO25 4.5 19.6 1.0
CD B:PRO29 4.5 15.5 1.0
CE1 B:TYR233 4.5 22.8 1.0
C B:MET232 4.5 20.5 1.0
O B:HOH271 4.7 38.9 1.0
C B:SER26 4.7 30.2 1.0
N B:SER26 4.7 24.0 1.0
CA B:TYR233 4.8 27.3 1.0
N B:TYR233 4.8 20.6 1.0
CA B:SER26 4.8 30.8 1.0
O B:SER26 4.9 29.9 1.0
CB B:MET232 4.9 18.8 1.0
CB B:PRO25 5.0 20.6 1.0
N B:SER27 5.0 26.5 1.0
C B:ARG28 5.0 21.9 1.0

Iodine binding site 4 out of 12 in 3mxm

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Iodine binding site 4 out of 12 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I244

b:21.2
occ:0.51
 O A:HOH269 2.9 37.3 1.0
O B:HOH517 2.9 56.0 1.0
N A:ARG62 3.5 15.7 1.0
NE2 B:GLN95 3.6 28.7 1.0
ND2 A:ASN46 3.8 41.8 1.0
N A:VAL63 3.8 13.3 1.0
CB A:PRO61 4.0 18.1 1.0
O A:HOH411 4.0 28.6 1.0
CB A:ARG62 4.0 14.9 1.0
CB A:ALA43 4.1 30.2 1.0
CA A:ARG62 4.2 15.2 1.0
CA A:PRO61 4.2 14.0 1.0
C A:PRO61 4.2 13.9 1.0
CA A:ALA43 4.3 30.3 1.0
CB A:ASN46 4.3 48.1 1.0
CG2 A:VAL63 4.5 22.4 1.0
CD B:GLN95 4.5 23.1 1.0
C A:ARG62 4.5 14.7 1.0
CB A:VAL63 4.6 19.9 1.0
CG A:ASN46 4.6 47.4 1.0
OE1 B:GLN95 4.6 27.9 1.0
O A:ALA43 4.6 40.9 1.0
CA A:VAL63 4.7 16.0 1.0
C A:ALA43 5.0 36.1 1.0

Iodine binding site 5 out of 12 in 3mxm

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Iodine binding site 5 out of 12 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I245

b:20.3
occ:1.00
 O A:HOH353 3.6 18.5 1.0
CD2 A:HIS53 3.9 23.2 1.0
CA A:PRO54 4.1 18.9 1.0
CD A:PRO55 4.2 20.0 1.0
CB A:HIS53 4.3 21.8 1.0
CA A:HIS53 4.3 21.5 1.0
CG A:HIS53 4.4 28.1 1.0
CB A:PRO54 4.7 19.1 1.0
N A:PRO54 4.7 16.2 1.0
N A:PRO55 4.9 16.2 1.0
C A:HIS53 4.9 17.9 1.0
O A:GLY52 5.0 22.7 1.0

Iodine binding site 6 out of 12 in 3mxm

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Iodine binding site 6 out of 12 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I246

b:36.7
occ:0.54
 CA A:LYS211 3.7 17.2 1.0
C A:LYS211 3.7 16.8 1.0
CB A:LYS211 3.7 16.5 1.0
N A:GLN213 3.8 20.2 1.0
CD A:PRO212 3.9 20.6 1.0
N A:PRO212 3.9 16.3 1.0
CB A:GLN213 4.0 24.2 1.0
N A:ALA214 4.0 16.1 1.0
O A:LYS211 4.2 14.9 1.0
CG A:LYS211 4.3 18.9 1.0
CA A:GLN213 4.3 22.0 1.0
CB A:ALA214 4.7 17.7 1.0
C A:PRO212 4.7 19.6 1.0
C A:GLN213 4.7 17.9 1.0
CD A:LYS211 4.8 18.6 1.0
CA A:PRO212 4.9 18.2 1.0

Iodine binding site 7 out of 12 in 3mxm

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Iodine binding site 7 out of 12 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I247

b:22.3
occ:0.46
 O A:HOH368 3.2 41.2 1.0
N A:ALA76 3.8 12.7 1.0
CB A:ALA76 4.3 19.6 1.0
CB A:LYS75 4.3 18.3 1.0
CA A:LYS75 4.4 11.2 1.0
C A:LYS75 4.6 14.4 1.0
CA A:ALA76 4.7 16.8 1.0

Iodine binding site 8 out of 12 in 3mxm

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Iodine binding site 8 out of 12 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I248

b:17.7
occ:0.91
 N A:GLY80 3.4 10.9 1.0
N2 C:DG4 3.7 15.2 1.0
CA A:GLY80 3.9 12.1 1.0
CD A:PRO79 3.9 15.3 1.0
CB A:SER78 4.0 13.2 1.0
N A:PRO79 4.2 15.6 1.0
OG A:SER78 4.2 12.6 1.0
C A:PRO79 4.5 14.7 1.0
C A:SER78 4.6 16.2 1.0
CG A:PRO79 4.6 19.6 1.0
CB A:PRO79 4.6 17.1 1.0
CA A:PRO79 4.7 16.1 1.0
CA A:SER78 4.8 13.8 1.0
C2 C:DG4 4.9 17.7 1.0

Iodine binding site 9 out of 12 in 3mxm

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Iodine binding site 9 out of 12 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I249

b:31.0
occ:0.31
 N A:LEU24 3.3 14.1 1.0
N2 C:DG4 3.6 15.2 1.0
CB A:SER27 3.9 18.9 1.0
OG A:SER27 3.9 17.5 1.0
CA A:GLY23 3.9 13.6 1.0
CB A:LEU24 3.9 13.3 1.0
C A:GLY23 4.1 13.3 1.0
CA A:LEU24 4.1 15.8 1.0
CG A:LEU24 4.2 19.3 1.0
C2 C:DG4 4.3 17.7 1.0
OG A:SER78 4.3 12.6 1.0
O A:LEU24 4.4 16.6 1.0
CB A:SER78 4.5 13.2 1.0
N3 C:DG4 4.5 11.8 1.0
CD1 A:LEU24 4.6 24.2 1.0
C A:LEU24 4.7 16.1 1.0

Iodine binding site 10 out of 12 in 3mxm

Go back to Iodine Binding Sites List in 3mxm
Iodine binding site 10 out of 12 in the TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of TREX1 3' Exonuclease V201D Aicardi-Goutieres Syndrome Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I250

b:20.9
occ:0.35
 O A:PRO25 2.6 22.0 1.0
O A:HOH427 3.2 40.3 1.0
C A:PRO25 3.5 23.6 1.0
CD1 A:TYR233 3.8 15.6 1.0
CB A:TYR233 3.9 14.8 1.0
N A:ARG28 3.9 16.8 1.0
CG A:MET232 3.9 13.8 1.0
CA A:ARG28 3.9 13.2 1.0
CG A:ARG28 4.0 24.2 1.0
O A:MET232 4.2 16.4 1.0
CG A:TYR233 4.2 15.4 1.0
CA A:PRO25 4.3 17.9 1.0
SD A:MET232 4.4 14.8 1.0
N A:SER26 4.4 20.5 1.0
CA A:SER26 4.5 22.5 1.0
CD A:PRO29 4.5 13.4 1.0
CB A:ARG28 4.5 17.4 1.0
C A:SER26 4.6 24.2 1.0
C A:MET232 4.6 14.3 1.0
CB A:PRO25 4.7 13.9 1.0
CE1 A:TYR233 4.7 15.5 1.0
N A:SER27 4.8 21.0 1.0
CA A:TYR233 4.9 17.0 1.0
N A:TYR233 4.9 13.7 1.0
O A:SER26 4.9 22.2 1.0

Reference:

S.L.Bailey, S.Harvey, F.W.Perrino, T.Hollis. X-Ray Crystal Structures of TREX1 3' Exonuclease Autoimmune Disease Mutants To Be Published.
Page generated: Sun Aug 11 15:48:04 2024

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