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Potassium 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:

Iodine (I) 6 atoms
Chlorine (Cl) 41 atoms

Potassium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Potassium 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 Potassium atom.
In total 13 binding sites of Potassium where determined in the Mouse 20S Immunoproteasome in Complex with Pr-957, PDB code: 3unf:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Potassium binding site 1 out of 13 in 3unf

Go back to Potassium Binding Sites List in 3unf
Potassium binding site 1 out of 13 in the Mouse 20S Immunoproteasome in Complex with Pr-957


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Mouse 20S Immunoproteasome in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K301

b:55.8
occ:1.00
 O B:HIS141 3.9 64.2 1.0
CA B:TYR142 4.3 64.4 1.0
C B:TYR142 4.3 63.5 1.0
O B:TYR142 4.4 64.3 1.0
N B:GLY143 4.8 63.0 1.0
C B:HIS141 4.9 64.7 1.0

Potassium binding site 2 out of 13 in 3unf

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Potassium binding site 2 out of 13 in the Mouse 20S Immunoproteasome in Complex with Pr-957


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Mouse 20S Immunoproteasome in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:K301

b:56.7
occ:1.00
 O A:HOH432 2.7 48.5 1.0
O A:HOH438 3.1 50.4 1.0
O G:TYR159 3.6 67.9 1.0
CD2 G:TYR158 3.8 69.6 1.0
N G:TYR159 3.9 66.9 1.0
NE A:ARG83 4.3 59.9 1.0
CD2 G:TYR159 4.3 65.6 1.0
CG1 A:VAL61 4.4 72.0 1.0
CA G:TYR158 4.4 66.0 1.0
CE2 G:TYR158 4.5 71.2 1.0
NH2 A:ARG83 4.5 62.1 1.0
C G:TYR159 4.6 66.8 1.0
CE2 G:TYR159 4.7 65.0 1.0
CA A:GLY79 4.7 62.6 1.0
C G:TYR158 4.7 65.9 1.0
CG G:TYR158 4.7 68.9 1.0
CB G:TYR158 4.8 67.0 1.0
CZ A:ARG83 4.8 61.1 1.0
CA G:TYR159 4.8 65.9 1.0
C A:GLY79 4.9 62.9 1.0

Potassium binding site 3 out of 13 in 3unf

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Potassium binding site 3 out of 13 in the Mouse 20S Immunoproteasome in Complex with Pr-957


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Mouse 20S Immunoproteasome in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:K302

b:41.2
occ:1.00
 NE2 I:GLN64 3.0 46.5 1.0
O B:LEU98 3.3 47.0 1.0
O J:ASN82 3.3 45.5 1.0
OE1 I:GLN64 3.3 47.6 1.0
NH1 J:ARG85 3.5 36.4 1.0
CD I:GLN64 3.5 46.8 1.0
O B:GLN99 3.8 48.6 1.0
OD1 J:ASN82 3.9 48.9 1.0
NE J:ARG86 4.0 55.7 1.0
CB J:ARG86 4.1 49.5 1.0
N J:ARG86 4.2 45.9 1.0
CG B:GLN101 4.2 52.9 1.0
C J:ASN82 4.2 45.8 1.0
CD J:ARG85 4.3 35.6 1.0
NE2 B:GLN101 4.4 52.9 1.0
CA J:ARG86 4.4 48.3 1.0
CD J:ARG86 4.4 55.1 1.0
CB J:ASN82 4.4 48.3 1.0
CZ J:ARG86 4.4 55.8 1.0
C B:GLN99 4.4 49.1 1.0
C B:LEU98 4.5 47.5 1.0
CA J:ASN82 4.5 46.7 1.0
CG J:ASN82 4.6 48.5 1.0
CZ J:ARG85 4.6 35.5 1.0
NH2 J:ARG86 4.6 55.2 1.0
CB J:ARG85 4.7 41.8 1.0
CA B:GLN99 4.7 48.5 1.0
CD B:GLN101 4.8 53.1 1.0
CG J:ARG86 4.8 51.8 1.0
CG I:GLN64 4.9 45.5 1.0
C J:ARG85 4.9 43.9 1.0
NE J:ARG85 5.0 35.5 1.0

Potassium binding site 4 out of 13 in 3unf

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Potassium binding site 4 out of 13 in the Mouse 20S Immunoproteasome in Complex with Pr-957


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Mouse 20S Immunoproteasome in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
K:K303

b:51.0
occ:1.00
 OD1 K:ASN38 2.2 62.7 1.0
CG K:ASN38 2.8 62.1 1.0
ND2 K:ASN38 2.8 60.0 1.0
O K:CYS63 3.0 61.0 1.0
CB K:TYR67 3.5 68.7 1.0
C K:CYS63 3.6 61.1 1.0
CA K:ARG64 3.7 62.5 1.0
CD K:ARG64 3.8 61.0 1.0
N K:ARG64 3.9 61.1 1.0
CG K:TYR67 4.1 69.6 1.0
CB K:ASN38 4.2 59.7 1.0
NH1 K:ARG73 4.3 65.7 1.0
CD2 K:TYR67 4.4 70.0 1.0
O K:ARG64 4.4 65.6 1.0
C K:ARG64 4.5 63.8 1.0
NE K:ARG64 4.6 62.6 1.0
CD K:ARG73 4.6 74.9 1.0
CB K:ARG64 4.7 61.6 1.0
CB K:CYS63 4.7 57.2 1.0
CA K:CYS63 4.8 59.6 1.0
CA K:TYR67 4.8 69.5 1.0
CG K:ARG64 4.8 61.4 1.0
N K:TYR67 4.9 67.3 1.0
CD1 K:TYR67 4.9 70.6 1.0
CZ K:ARG73 5.0 68.9 1.0

Potassium binding site 5 out of 13 in 3unf

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Potassium binding site 5 out of 13 in the Mouse 20S Immunoproteasome in Complex with Pr-957


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Mouse 20S Immunoproteasome in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K303

b:31.7
occ:1.00
 O V:HOH403 2.5 16.5 1.0
O L:HOH401 3.1 2.0 1.0
O L:HOH409 3.2 17.9 1.0
CA V:GLY171 3.3 29.8 1.0
N V:GLY171 3.3 27.1 1.0
NH1 L:ARG211 3.4 45.7 1.0
NH2 L:ARG211 3.4 58.2 1.0
CZ L:ARG211 3.6 43.9 1.0
O V:LYS29 3.7 37.6 1.0
CB V:LYS29 3.7 36.7 1.0
OD2 L:ASP213 3.9 45.6 1.0
CA V:LYS29 3.9 37.3 1.0
CG V:LYS29 4.1 35.3 1.0
C V:LYS29 4.2 38.0 1.0
C V:GLY170 4.3 27.1 1.0
O V:HOH437 4.6 2.0 1.0
NE L:ARG211 4.7 41.7 1.0
CD V:LYS29 4.7 31.7 1.0
C V:GLY171 4.7 30.5 1.0
NH2 V:ARG19 4.8 31.6 1.0
CA V:GLY170 4.9 25.4 1.0

Potassium binding site 6 out of 13 in 3unf

Go back to Potassium Binding Sites List in 3unf
Potassium binding site 6 out of 13 in the Mouse 20S Immunoproteasome in Complex with Pr-957


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Mouse 20S Immunoproteasome in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
M:K305

b:37.3
occ:1.00
 CZ M:TYR30 4.5 42.2 1.0
O M:PRO4 4.5 41.7 1.0
CE1 M:TYR30 4.6 40.9 1.0
OH M:TYR30 4.7 44.1 1.0
N M:GLY31 4.7 33.8 1.0
CE2 M:TYR30 4.7 41.3 1.0
SD M:MET5 4.8 54.0 1.0
O M:MET5 4.8 40.1 1.0
CA M:GLY31 4.9 33.2 1.0

Potassium binding site 7 out of 13 in 3unf

Go back to Potassium Binding Sites List in 3unf
Potassium binding site 7 out of 13 in the Mouse 20S Immunoproteasome in Complex with Pr-957


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Mouse 20S Immunoproteasome in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:K303

b:50.2
occ:1.00
 O S:ARG122 3.4 45.4 1.0
OD1 S:ASP6 3.5 71.4 1.0
O S:ASN5 3.6 70.9 1.0
O R:ASN5 3.7 56.3 1.0
O R:HOH424 3.9 43.8 1.0
NH2 P:ARG2 4.2 83.0 1.0
CA S:ASP6 4.2 67.4 1.0
C R:ASN5 4.3 58.2 1.0
C S:GLY121 4.3 45.7 1.0
CA S:GLY121 4.4 46.0 1.0
OG1 R:THR6 4.4 63.3 1.0
O R:HOH415 4.4 60.8 1.0
N S:GLY121 4.4 45.6 1.0
C S:ARG122 4.5 45.0 1.0
CG S:ASP6 4.5 70.3 1.0
O S:GLY121 4.6 46.8 1.0
CB S:ASP6 4.6 68.2 1.0
C S:ASN5 4.7 71.3 1.0
N S:ARG122 4.7 44.6 1.0
N S:VAL7 4.7 63.8 1.0
N R:THR6 4.9 59.8 1.0
CB R:ASN5 4.9 57.4 1.0
N S:ASP6 4.9 69.5 1.0
CA R:THR6 5.0 61.9 1.0
CG2 S:VAL7 5.0 59.6 1.0

Potassium binding site 8 out of 13 in 3unf

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Potassium binding site 8 out of 13 in the Mouse 20S Immunoproteasome in Complex with Pr-957


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Mouse 20S Immunoproteasome in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
X:K304

b:70.7
occ:1.00
 CL X:CL303 2.6 72.5 1.0

Potassium binding site 9 out of 13 in 3unf

Go back to Potassium Binding Sites List in 3unf
Potassium binding site 9 out of 13 in the Mouse 20S Immunoproteasome in Complex with Pr-957


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 9 of Mouse 20S Immunoproteasome in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
Z:K302

b:47.6
occ:1.00
 CD1 Z:PHE102 4.2 49.1 1.0
CE1 Z:PHE102 4.5 50.7 1.0
CE a:MET103 4.7 45.9 1.0
O Z:PHE101 4.9 44.8 1.0
CG Z:PHE102 4.9 47.3 1.0

Potassium binding site 10 out of 13 in 3unf

Go back to Potassium Binding Sites List in 3unf
Potassium binding site 10 out of 13 in the Mouse 20S Immunoproteasome in Complex with Pr-957


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 10 of Mouse 20S Immunoproteasome in Complex with Pr-957 within 5.0Å range:
probe atom residue distance (Å) B Occ
Z:K303

b:25.0
occ:1.00
 O Z:HOH433 2.7 21.4 1.0
CB Y:ALA22 4.0 45.2 1.0
O Z:HOH444 4.1 25.8 1.0
CE2 Z:TYR107 4.1 46.9 1.0
CB Z:ASP125 4.2 40.5 1.0
OG Y:SER27 4.6 46.8 1.0
C38 Y:04C301 4.6 15.9 1.0
CD2 Z:TYR107 4.6 46.6 1.0
CD Z:PRO126 4.6 41.1 1.0
O37 Y:04C301 4.6 21.9 1.0
CA Z:ASP125 4.7 40.4 1.0
CB Y:SER27 4.8 46.5 1.0
C29 Y:04C301 4.9 19.3 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: Mon Aug 12 09:43:06 2024

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