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Iodine in PDB 3unh: Mouse 20S Immunoproteasome

Enzymatic activity of Mouse 20S Immunoproteasome

All present enzymatic activity of Mouse 20S Immunoproteasome:
3.4.25.1;

Protein crystallography data

The structure of Mouse 20S Immunoproteasome, PDB code: 3unh was solved by E.Huber, M.Basler, R.Schwab, W.Heinemeyer, C.Kirk, M.Groettrup, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 3.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 118.280, 205.220, 161.940, 90.00, 105.70, 90.00
R / Rfree (%) 23.9 / 25.4

Other elements in 3unh:

The structure of Mouse 20S Immunoproteasome also contains other interesting chemical elements:

Potassium (K) 10 atoms
Chlorine (Cl) 23 atoms

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Iodine atom in the Mouse 20S Immunoproteasome (pdb code 3unh). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 14 binding sites of Iodine where determined in the Mouse 20S Immunoproteasome, PDB code: 3unh:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 14 in 3unh

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Iodine binding site 1 out of 14 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I234

b:76.1
occ:1.00
 N A:ARG219 3.3 92.5 1.0
O A:HOH236 3.3 2.0 1.0
CB A:ARG219 3.8 90.9 1.0
CG A:PRO66 3.8 79.6 1.0
CA A:ARG218 3.9 93.1 1.0
NH1 A:ARG219 4.0 0.2 1.0
C A:ARG218 4.0 92.7 1.0
CA A:ARG219 4.2 92.6 1.0
CD A:PRO66 4.2 79.4 1.0
CB A:PRO66 4.2 78.8 1.0
CZ A:ARG219 4.4 92.0 1.0
CE2 A:PHE217 4.5 85.5 1.0
CB A:ARG218 4.5 95.5 1.0
NH2 A:ARG219 4.6 89.3 1.0
O A:PHE217 4.7 91.6 1.0
CD2 A:PHE217 4.7 87.8 1.0
N A:ARG218 4.9 91.4 1.0

Iodine binding site 2 out of 14 in 3unh

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Iodine binding site 2 out of 14 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I248

b:86.7
occ:1.00
 N C:GLY161 3.4 89.2 1.0
O C:HOH252 3.6 38.6 1.0
O C:GLY161 4.0 99.9 1.0
CA C:ILE160 4.0 86.8 1.0
CG C:LYS26 4.1 84.7 1.0
O C:HOH254 4.1 32.9 1.0
CB C:ILE160 4.1 84.0 1.0
CG2 C:ILE160 4.2 84.1 1.0
CG1 C:VAL25 4.2 74.1 1.0
C C:ILE160 4.2 87.0 1.0
CA C:GLY161 4.3 92.7 1.0
CB C:ALA164 4.3 0.4 1.0
CG2 C:VAL25 4.5 76.3 1.0
C C:GLY161 4.6 99.1 1.0
CA C:LYS26 4.7 84.4 1.0
N C:LYS26 4.8 81.5 1.0
O C:VAL25 4.8 81.2 1.0
C C:VAL25 4.8 79.6 1.0
CE C:LYS26 5.0 87.6 1.0
CB C:VAL25 5.0 76.4 1.0

Iodine binding site 3 out of 14 in 3unh

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Iodine binding site 3 out of 14 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
E:I261

b:92.9
occ:1.00
 N E:GLY159 3.6 86.5 1.0
CG E:LYS27 3.6 92.2 1.0
OG E:SER162 4.1 98.6 1.0
CA E:ILE158 4.1 84.5 1.0
O E:GLY159 4.1 92.8 1.0
CB E:ILE158 4.1 82.4 1.0
CG2 E:ILE158 4.2 82.2 1.0
NH2 E:ARG166 4.2 92.8 1.0
CG1 E:VAL26 4.3 80.3 1.0
C E:ILE158 4.4 85.5 1.0
CD E:LYS27 4.5 92.7 1.0
CA E:GLY159 4.5 88.7 1.0
CA E:LYS27 4.5 88.8 1.0
CB E:LYS27 4.6 90.6 1.0
N E:LYS27 4.6 85.6 1.0
C E:GLY159 4.8 91.8 1.0
CB E:VAL26 4.9 81.6 1.0
C E:VAL26 4.9 84.0 1.0

Iodine binding site 4 out of 14 in 3unh

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Iodine binding site 4 out of 14 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
H:I235

b:60.0
occ:1.00
 N H:SER129 3.6 47.7 1.0
CA H:GLY128 4.0 47.7 1.0
N H:GLY47 4.0 54.5 1.0
C H:GLY128 4.1 49.9 1.0
CB H:SER129 4.1 53.8 1.0
CB H:THR1 4.2 38.4 1.0
CA H:SER129 4.4 52.7 1.0
CB H:ALA46 4.4 44.8 1.0
CA H:GLY47 4.5 55.0 1.0
N H:THR1 4.5 38.4 1.0
OG1 H:THR1 4.6 38.5 1.0
O H:THR1 4.6 38.8 1.0
C H:ALA46 4.7 54.6 1.0
CA H:THR1 4.8 38.5 1.0
O H:GLY47 4.9 55.4 1.0
CA H:ALA46 5.0 53.5 1.0

Iodine binding site 5 out of 14 in 3unh

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Iodine binding site 5 out of 14 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
I:I205

b:79.7
occ:1.00
 NE I:ARG65 3.7 51.2 1.0
CD2 I:PHE68 3.8 53.2 1.0
NE I:ARG69 4.0 48.3 1.0
CB I:ARG65 4.1 48.9 1.0
O I:ARG65 4.2 50.4 1.0
O I:HOH211 4.2 22.8 1.0
CE2 I:PHE68 4.3 54.0 1.0
CG I:PHE68 4.3 52.8 1.0
CD I:ARG65 4.4 50.1 1.0
NH2 I:ARG69 4.4 48.1 1.0
CG I:ARG65 4.4 48.8 1.0
CA I:ARG65 4.5 48.5 1.0
CB I:PHE68 4.6 52.4 1.0
CG I:ARG69 4.6 49.5 1.0
CZ I:ARG65 4.6 51.3 1.0
NH2 I:ARG65 4.6 51.8 1.0
CZ I:ARG69 4.7 48.3 1.0
C I:ARG65 4.8 49.3 1.0
CD I:ARG69 4.9 49.1 1.0
CD2 B:LEU98 4.9 60.5 1.0

Iodine binding site 6 out of 14 in 3unh

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Iodine binding site 6 out of 14 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
K:I205

b:64.2
occ:1.00
 N K:GLY47 3.9 44.1 1.0
N K:SER130 3.9 41.8 1.0
CB K:THR1 4.0 33.5 1.0
OG K:SER46 4.0 42.9 1.0
N K:THR1 4.0 34.1 1.0
CA K:GLY129 4.3 40.5 1.0
CA K:GLY47 4.3 45.7 1.0
C K:GLY129 4.5 40.9 1.0
CA K:THR1 4.5 33.6 1.0
CB K:SER130 4.5 44.2 1.0
OG1 K:THR1 4.6 33.9 1.0
O K:GLY47 4.7 48.9 1.0
CA K:SER130 4.7 42.7 1.0
O K:THR1 4.8 33.5 1.0
CG2 K:THR1 4.8 33.0 1.0
CB K:SER46 4.9 42.7 1.0
C K:SER46 4.9 43.5 1.0

Iodine binding site 7 out of 14 in 3unh

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Iodine binding site 7 out of 14 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
N:I200

b:49.0
occ:1.00
 N N:GLY47 3.7 50.5 1.0
N N:SER129 3.7 50.2 1.0
CB N:THR1 3.9 35.3 1.0
CA N:GLY128 4.1 45.4 1.0
CA N:GLY47 4.2 51.7 1.0
C N:GLY128 4.3 49.7 1.0
CB N:SER129 4.4 50.8 1.0
CG2 N:THR1 4.4 35.5 1.0
CB N:SER46 4.5 44.9 1.0
CA N:SER129 4.6 50.5 1.0
N N:THR1 4.6 35.1 1.0
OG1 N:THR1 4.7 35.4 1.0
C N:SER46 4.7 49.7 1.0
O N:THR1 4.8 35.7 1.0
CA N:THR1 4.8 35.3 1.0
CA N:SER46 4.8 48.4 1.0
O N:GLY47 4.8 53.5 1.0
OG N:SER129 4.9 51.1 1.0
C N:GLY47 5.0 53.2 1.0

Iodine binding site 8 out of 14 in 3unh

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Iodine binding site 8 out of 14 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
N:I201

b:0.7
occ:1.00
 O N:HOH205 3.6 32.0 1.0
NE2 N:GLN62 3.9 68.7 1.0
CG N:MET58 4.4 68.8 1.0
O N:HOH258 4.4 28.2 1.0
CG1 N:ILE86 4.4 57.7 1.0
CD1 N:ILE86 4.4 57.7 1.0
CE1 N:TYR90 4.5 63.7 1.0
OH N:TYR90 4.6 64.0 1.0
CG2 N:ILE86 4.6 57.7 1.0
SD N:MET58 4.7 70.6 1.0
CE N:MET58 4.9 71.5 1.0
NZ N:LYS89 4.9 70.4 1.0

Iodine binding site 9 out of 14 in 3unh

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Iodine binding site 9 out of 14 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
O:I234

b:83.9
occ:1.00
 N O:ARG219 3.3 87.8 1.0
CB O:ARG219 3.7 88.3 1.0
NH1 O:ARG219 3.8 86.6 1.0
CG O:PRO66 3.9 77.8 1.0
CA O:ARG218 4.0 87.3 1.0
C O:ARG218 4.1 86.7 1.0
CA O:ARG219 4.2 89.1 1.0
CZ O:ARG219 4.3 86.2 1.0
CD O:PRO66 4.3 78.0 1.0
CB O:PRO66 4.4 77.3 1.0
NH2 O:ARG219 4.6 87.1 1.0
CB O:ARG218 4.6 87.8 1.0
CE2 O:PHE217 4.7 82.6 1.0
O O:PHE217 4.9 87.6 1.0
CD2 O:PHE217 5.0 84.4 1.0
NE O:ARG219 5.0 86.1 1.0

Iodine binding site 10 out of 14 in 3unh

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Iodine binding site 10 out of 14 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
V:I235

b:68.2
occ:1.00
 N V:SER129 3.7 46.3 1.0
N V:GLY47 3.9 51.9 1.0
CA V:GLY128 4.1 46.3 1.0
CB V:THR1 4.1 35.8 1.0
CB V:SER129 4.2 51.8 1.0
C V:GLY128 4.3 48.5 1.0
CA V:GLY47 4.4 52.7 1.0
CB V:ALA46 4.5 42.1 1.0
N V:THR1 4.5 36.0 1.0
CA V:SER129 4.5 50.9 1.0
OG1 V:THR1 4.5 35.7 1.0
O V:THR1 4.7 36.8 1.0
C V:ALA46 4.7 52.0 1.0
O V:GLY47 4.8 53.0 1.0
CA V:THR1 4.8 36.0 1.0
CA V:ALA46 4.9 50.7 1.0

Reference:

E.M.Huber, M.Basler, R.Schwab, W.Heinemeyer, C.J.Kirk, M.Groettrup, M.Groll. Immuno- and Constitutive Proteasome Crystal Structures Reveal Differences in Substrate and Inhibitor Specificity. Cell(Cambridge,Mass.) V. 148 727 2012.
ISSN: ISSN 0092-8674
PubMed: 22341445
DOI: 10.1016/J.CELL.2011.12.030
Page generated: Sun Aug 11 16:55:18 2024

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