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Chlorine in PDB 3unf: Mouse 20S Immunoproteasome in Complex with Pr-957

Protein crystallography data

The structure of Mouse 20S Immunoproteasome in Complex with Pr-957, PDB code: 3unf 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 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 117.300, 194.600, 157.700, 90.00, 107.10, 90.00
R / Rfree (%) 23.5 / 27.5

Other elements in 3unf:

The structure of Mouse 20S Immunoproteasome in Complex with Pr-957 also contains other interesting chemical elements:

Potassium (K) 13 atoms
Iodine (I) 6 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 41;

Binding sites:

The binding sites of Chlorine atom in the Mouse 20S Immunoproteasome in Complex with Pr-957 (pdb code 3unf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 41 binding sites of Chlorine where determined in the Mouse 20S Immunoproteasome in Complex with Pr-957, PDB code: 3unf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 41 in 3unf

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Chlorine binding site 1 out of 41 in the Mouse 20S Immunoproteasome in Complex with Pr-957


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 in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:34.0
occ:1.00
 O A:HOH441 3.2 40.3 1.0
NH1 A:ARG219 3.7 58.5 1.0
N A:ARG219 3.8 61.9 1.0
CB A:ARG219 4.0 60.9 1.0
CG A:PRO66 4.0 59.2 1.0
CZ A:ARG219 4.3 57.1 1.0
CD A:PRO66 4.4 59.4 1.0
CA A:ARG218 4.4 63.1 1.0
CA A:ARG219 4.6 61.7 1.0
C A:ARG218 4.6 62.1 1.0
NH2 A:ARG219 4.7 58.5 1.0
CB A:PRO66 4.7 59.5 1.0
CB A:ARG218 4.8 62.5 1.0

Chlorine binding site 2 out of 41 in 3unf

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Chlorine binding site 2 out of 41 in the Mouse 20S Immunoproteasome in Complex with Pr-957


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 in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:32.4
occ:1.00
 N A:SER6 3.5 70.5 1.0
CE2 A:PHE7 3.9 63.1 1.0
CD2 A:PHE7 3.9 63.5 1.0
NH2 C:ARG4 4.0 74.3 1.0
OG A:SER6 4.0 66.4 1.0
CB A:SER6 4.0 65.5 1.0
CA A:TYR5 4.2 75.1 1.0
CA A:SER6 4.3 68.8 1.0
NH1 C:ARG4 4.3 72.1 1.0
C A:TYR5 4.4 73.0 1.0
N C:ASP3 4.5 62.7 1.0
CZ C:ARG4 4.5 72.4 1.0
OE2 D:GLU118 4.5 85.6 1.0
O A:GLY4 4.6 84.3 1.0
OG B:SER1 4.6 66.7 1.0
CD1 C:TYR2 4.6 61.3 1.0
O C:ASP3 4.8 64.8 1.0
CE1 C:TYR2 4.9 61.1 1.0
O C:SER1 4.9 59.6 1.0
CB A:TYR5 4.9 71.4 1.0
N A:PHE7 5.0 66.2 1.0
C C:ASP3 5.0 64.0 1.0
C A:SER6 5.0 67.5 1.0

Chlorine binding site 3 out of 41 in 3unf

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Chlorine binding site 3 out of 41 in the Mouse 20S Immunoproteasome in Complex with Pr-957


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 in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:45.8
occ:1.00
 OH A:TYR120 4.0 54.0 1.0
CZ A:TYR120 4.1 54.3 1.0
CE1 A:TYR120 4.1 54.6 1.0
OG A:SER123 4.6 56.3 1.0
CB A:SER123 4.6 56.0 1.0
OE2 A:GLU119 4.8 64.1 1.0
CE2 A:TYR120 4.8 54.6 1.0
CD1 A:TYR120 4.9 54.7 1.0

Chlorine binding site 4 out of 41 in 3unf

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Chlorine binding site 4 out of 41 in the Mouse 20S Immunoproteasome in Complex with Pr-957


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 in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:35.7
occ:1.00
 OG1 D:THR153 3.4 73.7 1.0
N E:THR75 3.5 50.8 1.0
CA E:LEU74 3.6 49.4 1.0
O E:GLY73 3.9 51.1 1.0
OG1 E:THR75 3.9 53.4 1.0
C E:LEU74 4.1 49.7 1.0
CD2 E:LEU74 4.2 49.5 1.0
OG D:SER151 4.3 65.3 1.0
CB E:THR75 4.4 52.0 1.0
CB E:LEU74 4.4 48.6 1.0
CB D:SER151 4.5 65.2 1.0
N E:LEU74 4.5 50.0 1.0
CA E:THR75 4.5 50.7 1.0
C E:GLY73 4.5 50.9 1.0
CB D:THR153 4.8 71.9 1.0
O D:SER151 4.9 66.1 1.0
CG E:LEU74 5.0 48.4 1.0

Chlorine binding site 5 out of 41 in 3unf

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Chlorine binding site 5 out of 41 in the Mouse 20S Immunoproteasome in Complex with Pr-957


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 in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:42.3
occ:1.00
 N E:GLY159 3.5 67.7 1.0
CG E:LYS27 3.6 73.7 1.0
CG2 E:ILE158 3.9 62.2 1.0
CG1 E:VAL26 4.0 68.3 1.0
CB E:ILE158 4.0 62.9 1.0
CA E:ILE158 4.0 64.6 1.0
OG E:SER162 4.1 70.7 1.0
O E:GLY159 4.2 73.2 1.0
C E:ILE158 4.3 65.8 1.0
CA E:LYS27 4.4 73.2 1.0
CA E:GLY159 4.5 69.9 1.0
NH2 E:ARG166 4.5 73.0 1.0
N E:LYS27 4.6 72.0 1.0
CD E:LYS27 4.6 74.6 1.0
CB E:LYS27 4.6 74.4 1.0
C E:GLY159 4.8 72.1 1.0
CB E:VAL26 4.8 67.4 1.0
C E:VAL26 4.8 70.3 1.0

Chlorine binding site 6 out of 41 in 3unf

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Chlorine binding site 6 out of 41 in the Mouse 20S Immunoproteasome in Complex with Pr-957


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 in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl303

b:31.5
occ:1.00
 OG1 H:THR86 3.0 48.6 1.0
CG2 H:ILE82 3.6 45.4 1.0
CB H:THR86 3.7 46.8 1.0
CG2 H:THR86 3.8 45.8 1.0
N H:ALA59 4.1 51.5 1.0
CA H:ALA59 4.1 52.4 1.0
O H:ILE82 4.2 43.8 1.0
NZ H:LYS62 4.2 57.3 1.0
CB H:ALA59 4.2 52.6 1.0
O H:THR55 4.3 47.2 1.0
CD H:LYS62 4.4 56.4 1.0
C H:MET58 4.5 50.0 1.0
CB H:MET58 4.5 50.1 1.0
C H:ILE82 4.5 44.1 1.0
CE H:MET58 4.5 54.5 1.0
CD2 H:LEU83 4.5 42.5 1.0
CA H:LEU83 4.5 43.7 1.0
N H:LEU83 4.7 44.1 1.0
O H:MET58 4.7 51.6 1.0
CG2 H:THR55 4.8 45.7 1.0
CE H:LYS62 4.8 56.5 1.0
CB H:ILE82 5.0 45.0 1.0

Chlorine binding site 7 out of 41 in 3unf

Go back to Chlorine Binding Sites List in 3unf
Chlorine binding site 7 out of 41 in the Mouse 20S Immunoproteasome in Complex with Pr-957


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 in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl301

b:28.8
occ:1.00
 NE I:ARG69 3.8 43.8 1.0
NH2 I:ARG69 4.1 43.8 1.0
NE I:ARG65 4.1 52.0 1.0
CD2 I:PHE68 4.1 48.6 1.0
CE2 I:PHE68 4.4 48.5 1.0
CZ I:ARG69 4.4 43.3 1.0
CG I:ARG69 4.6 45.2 1.0
CB I:ARG65 4.6 45.0 1.0
CG I:PHE68 4.7 48.6 1.0
O I:ARG65 4.7 45.8 1.0
CD I:ARG65 4.7 48.2 1.0
CD I:ARG69 4.8 44.2 1.0
NH2 I:ARG65 4.9 55.0 1.0
CG I:ARG65 4.9 46.2 1.0
CZ I:ARG65 5.0 54.3 1.0

Chlorine binding site 8 out of 41 in 3unf

Go back to Chlorine Binding Sites List in 3unf
Chlorine binding site 8 out of 41 in the Mouse 20S Immunoproteasome in Complex with Pr-957


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 in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl301

b:35.6
occ:1.00
 ND2 J:ASN63 3.5 44.9 1.0
OD1 J:ASN63 4.2 46.3 1.0
CG J:ASN63 4.3 45.3 1.0
CE1 J:TYR59 4.3 43.2 1.0
CD1 C:LEU95 4.6 50.9 1.0
OG C:SER92 4.6 58.6 1.0
CD1 J:TYR59 4.8 42.1 1.0
CD2 J:LEU66 5.0 47.1 1.0

Chlorine binding site 9 out of 41 in 3unf

Go back to Chlorine Binding Sites List in 3unf
Chlorine binding site 9 out of 41 in the Mouse 20S Immunoproteasome in Complex with Pr-957


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 in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl301

b:32.9
occ:1.00
 NH1 L:ARG71 3.2 36.9 1.0
CG2 L:ILE67 3.9 34.5 1.0
CG1 L:ILE95 4.2 33.6 1.0
CG2 L:ILE95 4.4 33.0 1.0
CZ L:ARG71 4.5 36.5 1.0
CD L:ARG71 4.7 36.4 1.0
CD1 L:ILE95 4.7 33.8 1.0
CG L:ARG71 4.7 36.2 1.0
CB L:ILE95 4.8 33.2 1.0

Chlorine binding site 10 out of 41 in 3unf

Go back to Chlorine Binding Sites List in 3unf
Chlorine binding site 10 out of 41 in the Mouse 20S Immunoproteasome in Complex with Pr-957


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 in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl302

b:24.6
occ:1.00
 O L:HOH435 3.1 25.0 1.0
CB K:ALA22 3.8 38.4 1.0
C38 K:04C301 3.8 11.7 1.0
CB L:ASP125 4.0 33.3 1.0
OG K:SER27 4.3 37.0 1.0
CE2 L:TYR107 4.5 39.4 1.0
CB K:SER27 4.6 36.8 1.0
C27 K:04C301 4.6 11.3 1.0
CA L:ASP125 4.6 33.5 1.0
CD L:PRO126 4.6 33.2 1.0
N28 K:04C301 4.8 12.5 1.0
CD2 L:TYR107 4.9 40.8 1.0
O L:HOH419 4.9 14.6 1.0
C30 K:04C301 5.0 20.8 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 06:17:09 2024

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