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Chlorine 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
Iodine (I) 14 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 23;

Binding sites:

The binding sites of Chlorine atom in the Mouse 20S Immunoproteasome (pdb code 3unh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 23 binding sites of Chlorine where determined in the Mouse 20S Immunoproteasome, PDB code: 3unh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 23 in 3unh

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Chlorine binding site 1 out of 23 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl235

b:23.3
occ:1.00
 N A:SER6 3.6 81.9 1.0
NH1 C:ARG4 3.6 75.2 1.0
CD2 A:PHE7 3.7 77.8 1.0
CE2 A:PHE7 3.8 79.1 1.0
NH2 C:ARG4 3.8 76.4 1.0
CB A:SER6 4.1 81.5 1.0
CZ C:ARG4 4.1 75.2 1.0
OG A:SER6 4.2 83.8 1.0
CD1 C:TYR2 4.2 66.5 1.0
CA A:SER6 4.3 80.6 1.0
CA A:TYR5 4.4 84.7 1.0
C A:TYR5 4.5 83.5 1.0
CE1 C:TYR2 4.5 65.2 1.0
OG B:SER1 4.5 78.5 1.0
N C:ASP3 4.7 71.6 1.0
N A:PHE7 4.8 77.2 1.0
OE2 D:GLU118 4.9 0.9 1.0
O A:GLY4 4.9 95.7 1.0
C A:SER6 4.9 78.8 1.0
CG A:PHE7 4.9 76.6 1.0
CB A:TYR5 5.0 81.5 1.0
O C:ASP3 5.0 73.7 1.0

Chlorine binding site 2 out of 23 in 3unh

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Chlorine binding site 2 out of 23 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl261

b:34.5
occ:1.00
 OD1 B:ASN68 3.1 70.5 1.0
O B:HOH409 3.2 29.2 1.0
ND2 B:ASN68 3.4 71.4 1.0
CD1 B:LEU97 3.4 59.2 1.0
CG B:ASN68 3.4 70.2 1.0
CB B:GLU69 3.5 72.8 1.0
N B:GLU69 3.7 70.4 1.0
CG B:LEU97 4.2 58.2 1.0
CA B:GLU69 4.2 71.7 1.0
OE1 B:GLN94 4.3 62.5 1.0
CB B:PRO103 4.6 63.5 1.0
CG B:PRO103 4.6 64.2 1.0
CB B:ASN68 4.7 69.2 1.0
C B:ASN68 4.7 69.5 1.0
CA B:ASN68 4.7 68.8 1.0
CA B:PRO103 4.8 63.0 1.0
CG B:GLU69 4.8 74.8 1.0

Chlorine binding site 3 out of 23 in 3unh

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Chlorine binding site 3 out of 23 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl235

b:41.8
occ:1.00
 O D:HOH236 3.4 25.1 1.0
NE2 D:HIS147 3.7 68.4 1.0
CG2 D:ILE162 3.8 76.6 1.0
CB D:ALA132 3.9 61.0 1.0
CB D:ASP149 4.1 62.9 1.0
CE1 D:HIS147 4.3 68.8 1.0
CG2 D:ILE23 4.3 70.5 1.0
CG1 D:ILE23 4.6 69.7 1.0
CB D:ILE23 4.7 70.6 1.0
CB D:ILE162 4.7 79.3 1.0
CD2 D:HIS147 4.8 68.0 1.0
OD1 D:ASP149 4.8 65.4 1.0
CG2 D:ILE20 4.9 70.8 1.0

Chlorine binding site 4 out of 23 in 3unh

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Chlorine binding site 4 out of 23 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl263

b:42.4
occ:1.00
 CA E:GLY29 3.5 84.8 1.0
NZ E:LYS59 3.7 76.8 1.0
N E:GLY73 3.7 63.0 1.0
O E:GLY73 3.8 62.8 1.0
N E:SER30 3.8 85.0 1.0
C E:GLY29 4.1 85.2 1.0
CA E:ALA72 4.3 64.9 1.0
OG E:SER30 4.3 84.8 1.0
CD E:LYS59 4.5 80.5 1.0
C E:ALA72 4.5 63.9 1.0
CA E:GLY73 4.6 63.1 1.0
C E:GLY73 4.6 62.6 1.0
CE E:LYS59 4.7 78.5 1.0
O E:ILE71 4.7 66.7 1.0
N E:GLY29 4.8 86.3 1.0
O E:SER30 4.9 82.5 1.0
CA E:SER30 5.0 84.8 1.0

Chlorine binding site 5 out of 23 in 3unh

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Chlorine binding site 5 out of 23 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl246

b:28.8
occ:1.00
 NZ G:LYS152 2.5 81.8 1.0
NE2 G:GLN171 3.5 1.0 1.0
OD1 G:ASP154 3.6 85.4 1.0
CE2 G:PHE28 3.7 80.0 1.0
CE G:LYS152 3.8 84.0 1.0
CD2 G:PHE28 3.8 81.2 1.0
SG G:CYS136 4.3 84.4 1.0
CD1 G:ILE31 4.3 82.0 1.0
CG G:ASP154 4.6 83.7 1.0
CD G:GLN171 4.6 0.4 1.0
CB G:CYS136 4.9 80.3 1.0
CD G:LYS152 4.9 83.7 1.0
OE1 G:GLN171 5.0 0.3 1.0

Chlorine binding site 6 out of 23 in 3unh

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Chlorine binding site 6 out of 23 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl237

b:29.9
occ:1.00
 NE H:ARG19 3.3 63.6 1.0
N H:GLY171 3.5 67.5 1.0
NH2 H:ARG19 3.8 64.5 1.0
CB H:ARG19 3.9 63.5 1.0
CA H:GLY171 3.9 67.5 1.0
CB H:LYS29 4.0 70.0 1.0
CG H:ARG19 4.0 63.3 1.0
CZ H:ARG19 4.0 63.8 1.0
OD2 Z:ASP213 4.0 69.6 1.0
CA H:LYS29 4.0 70.1 1.0
C H:GLY170 4.1 66.7 1.0
CD H:ARG19 4.2 63.0 1.0
CG1 H:VAL26 4.2 66.4 1.0
NH1 Z:ARG211 4.2 66.4 1.0
CA H:GLY170 4.4 64.8 1.0
CG H:LYS29 4.5 69.5 1.0
O H:LYS29 4.5 70.3 1.0
CA H:ARG19 4.6 64.0 1.0
CZ Z:ARG211 4.7 66.1 1.0
CD H:LYS29 4.8 68.7 1.0
C H:LYS29 4.8 70.4 1.0
O H:GLY170 4.8 67.0 1.0
NH2 Z:ARG211 4.8 67.4 1.0
O H:ASP28 4.9 69.0 1.0

Chlorine binding site 7 out of 23 in 3unh

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Chlorine binding site 7 out of 23 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl207

b:27.0
occ:1.00
 O K:ARG30 2.9 66.0 1.0
ND2 K:ASN175 3.7 53.4 1.0
C K:ARG30 3.7 65.7 1.0
O K:MET31 3.9 58.8 1.0
C K:MET31 4.2 62.6 1.0
OD1 K:ASN175 4.2 54.1 1.0
CA K:ARG30 4.4 65.6 1.0
CG K:ARG30 4.4 75.3 1.0
N K:ASN32 4.4 63.1 1.0
CG K:ASN175 4.4 53.1 1.0
CG2 K:VAL173 4.4 51.9 1.0
CA K:ASN32 4.5 62.5 1.0
CB K:SER18 4.5 51.0 1.0
N K:MET31 4.6 64.5 1.0
CB K:ASN32 4.6 63.8 1.0
OD1 K:ASN32 4.8 63.8 1.0
CB K:ARG30 4.9 70.7 1.0
CA K:MET31 4.9 64.2 1.0

Chlorine binding site 8 out of 23 in 3unh

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Chlorine binding site 8 out of 23 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl214

b:28.1
occ:1.00
 NH1 L:ARG71 3.5 49.5 1.0
CG2 L:ILE67 3.8 50.4 1.0
CG1 L:ILE95 4.5 47.0 1.0
CD L:ARG71 4.6 50.1 1.0
CD1 L:ILE95 4.6 47.4 1.0
CG L:ARG71 4.7 50.8 1.0
CG2 L:ILE95 4.7 46.4 1.0
CZ L:ARG71 4.7 49.5 1.0
CD1 L:ILE67 5.0 49.8 1.0

Chlorine binding site 9 out of 23 in 3unh

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Chlorine binding site 9 out of 23 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl220

b:31.3
occ:1.00
 O M:HOH472 3.1 31.1 1.0
CD2 M:TYR97 3.9 44.2 1.0
CB M:SER98 4.1 44.0 1.0
CA M:SER98 4.2 43.8 1.0
O M:ARG94 4.4 43.4 1.0
CE2 M:TYR97 4.4 45.0 1.0
CG2 L:THR63 4.4 49.2 1.0
N M:SER98 4.4 43.3 1.0
OG M:SER98 4.5 44.3 1.0
CE2 E:PHE94 4.6 58.5 1.0
CZ E:PHE94 4.8 58.4 1.0
CG M:TYR97 5.0 43.9 1.0
C M:TYR97 5.0 43.2 1.0

Chlorine binding site 10 out of 23 in 3unh

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Chlorine binding site 10 out of 23 in the Mouse 20S Immunoproteasome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Mouse 20S Immunoproteasome within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl202

b:24.0
occ:1.00
 O M:HOH461 2.8 30.6 1.0
ND1 N:HIS97 3.1 64.2 1.0
N N:GLY128 3.2 50.4 1.0
CE N:MET115 3.5 64.0 1.0
CB N:HIS97 3.7 58.7 1.0
CG N:HIS97 3.8 61.8 1.0
CA N:GLY127 4.0 53.7 1.0
CA N:GLY128 4.0 45.4 1.0
C N:GLY127 4.1 52.4 1.0
CE1 N:HIS97 4.2 66.0 1.0
OG N:SER46 4.3 49.4 1.0
O N:GLY128 4.5 50.4 1.0
C N:GLY128 4.6 49.7 1.0
NH2 M:ARG35 4.8 75.3 1.0
CB N:MET115 4.9 61.7 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 Jul 21 06:21:45 2024

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