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Sodium in PDB 7awe: Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid

Enzymatic activity of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid

All present enzymatic activity of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid:
3.4.25.1;

Protein crystallography data

The structure of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid, PDB code: 7awe was solved by D.Musil, M.Klein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 155.95 / 2.29
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 119.471, 206.048, 162.808, 90, 106.69, 90
R / Rfree (%) 17.8 / 21.4

Sodium Binding Sites:

Pages:

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

Binding sites:

The binding sites of Sodium atom in the Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid (pdb code 7awe). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 13 binding sites of Sodium where determined in the Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid, PDB code: 7awe:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Sodium binding site 1 out of 13 in 7awe

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Sodium binding site 1 out of 13 in the Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na301

b:48.2
occ:1.00
 O A:MET131 2.2 49.8 1.0
O A:ASN128 2.3 47.5 1.0
O A:HOH423 2.4 42.3 1.0
O A:TYR125 2.5 47.9 1.0
OG1 A:THR14 2.5 55.1 1.0
CG2 A:THR14 3.4 54.0 1.0
C A:ASN128 3.4 47.0 1.0
C A:MET131 3.5 49.5 1.0
CB A:THR14 3.5 54.2 1.0
CA A:ALA129 3.7 47.6 1.0
O A:ALA129 3.7 48.5 1.0
C A:TYR125 3.7 48.0 1.0
C A:ALA129 3.8 48.2 1.0
N A:ALA129 4.0 47.0 1.0
O G:HOH308 4.1 43.3 1.0
N A:MET131 4.1 48.8 1.0
N A:THR14 4.3 53.5 1.0
CA A:MET131 4.4 49.4 1.0
N A:ARG132 4.4 49.0 1.0
CA A:ARG132 4.5 49.4 1.0
CA A:TYR125 4.5 48.2 1.0
SD A:MET131 4.5 57.1 1.0
CA A:THR14 4.5 53.5 1.0
N A:GLU130 4.6 48.2 1.0
CA A:ASN128 4.6 46.9 1.0
N A:ASN128 4.7 46.9 1.0
N A:THR126 4.7 47.5 1.0
CD A:PRO133 4.9 50.5 1.0
CG A:MET131 4.9 51.8 1.0
C A:ARG132 4.9 50.4 1.0

Sodium binding site 2 out of 13 in 7awe

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Sodium binding site 2 out of 13 in the Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Na902

b:51.4
occ:1.00
 O H:MET163 2.3 41.5 1.0
O H:SER169 2.5 38.9 1.0
O H:ASP166 2.6 41.0 1.0
C H:MET163 3.5 41.3 1.0
C H:ASP166 3.6 40.8 1.0
NH1 H:ARG19 3.7 54.0 1.0
C H:SER169 3.7 38.7 1.0
CA H:GLY167 4.2 40.3 1.0
N H:GLY167 4.3 40.5 1.0
CA H:GLY170 4.4 39.9 1.0
O b:HOH354 4.4 41.5 1.0
CA H:MET163 4.4 40.9 1.0
O H:GLY167 4.4 40.3 1.0
C H:GLY167 4.5 40.1 1.0
N H:SER164 4.5 41.1 1.0
N H:GLY170 4.5 39.0 1.0
CZ H:ARG19 4.5 55.7 1.0
N H:ASP166 4.6 39.5 1.0
CA H:SER164 4.6 40.9 1.0
C H:SER164 4.6 40.4 1.0
CA H:ASP166 4.7 40.1 1.0
N H:SER169 4.7 38.4 1.0
CA H:SER169 4.8 38.2 1.0
O H:SER164 4.8 41.0 1.0
NH2 H:ARG19 4.9 56.3 1.0

Sodium binding site 3 out of 13 in 7awe

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Sodium binding site 3 out of 13 in the Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Na301

b:39.1
occ:1.00
 O I:ILE163 2.2 43.1 1.0
O I:ASP166 2.3 36.9 1.0
O I:SER169 2.3 40.9 1.0
OXT a:ASP213 2.4 54.8 1.0
O I:HOH427 2.4 37.7 1.0
C a:ASP213 3.4 54.6 1.0
C I:ASP166 3.4 37.0 1.0
C I:ILE163 3.4 42.5 1.0
C I:SER169 3.4 40.5 1.0
CA a:ASP213 3.6 53.4 1.0
NH1 I:ARG19 3.7 52.1 1.0
CB a:ASP213 3.7 54.3 1.0
CA I:LEU167 4.0 37.1 1.0
N I:LEU167 4.1 37.4 1.0
N I:SER169 4.3 40.1 1.0
C I:LEU167 4.3 37.8 1.0
CA I:SER169 4.3 40.0 1.0
O I:LEU164 4.3 41.0 1.0
N I:GLY170 4.3 40.8 1.0
N I:ASP166 4.3 37.7 1.0
CA I:ILE163 4.3 41.2 1.0
O I:LEU167 4.4 38.1 1.0
CA I:GLY170 4.4 42.2 1.0
N I:LEU164 4.4 42.0 1.0
C I:LEU164 4.4 40.8 1.0
CA I:ASP166 4.4 36.9 1.0
CZ I:ARG19 4.4 54.1 1.0
CA I:LEU164 4.5 41.6 1.0
O I:GLY162 4.5 41.9 1.0
O a:ASP213 4.5 55.1 1.0
CB I:SER169 4.6 40.9 1.0
NH2 I:ARG19 4.7 56.0 1.0
CG a:ASP213 4.7 58.1 1.0
N I:GLY165 5.0 39.5 1.0

Sodium binding site 4 out of 13 in 7awe

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Sodium binding site 4 out of 13 in the Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Na301

b:45.0
occ:1.00
 O J:ASP178 2.2 37.9 1.0
O J:SER181 2.3 42.2 1.0
O J:HOH428 2.4 39.3 1.0
O J:VAL175 2.6 39.4 1.0
C J:ASP178 3.5 36.9 1.0
C J:SER181 3.5 41.8 1.0
O J:HOH425 3.6 50.5 1.0
O J:HOH417 3.8 39.0 1.0
C J:VAL175 3.8 38.5 1.0
OXT J:ASP205 4.1 39.8 1.0
O J:HOH406 4.1 38.2 1.0
O J:ALA179 4.1 36.4 1.0
N J:SER181 4.2 40.8 1.0
C J:ALA179 4.2 36.8 1.0
N J:ALA179 4.3 36.4 1.0
CA J:ALA179 4.3 36.1 1.0
N J:ASP178 4.4 34.5 1.0
CA J:ASP176 4.4 36.3 1.0
CA J:SER181 4.4 41.4 1.0
N J:GLY182 4.4 41.8 1.0
CA J:ASP178 4.4 35.7 1.0
CA J:GLY182 4.5 42.2 1.0
CD1 Z:ILE26 4.5 40.3 1.0
N J:ASP176 4.6 37.0 1.0
C J:ASP176 4.7 35.4 1.0
CB J:ASP178 4.8 38.0 1.0
N J:VAL180 4.8 37.5 1.0
CA J:VAL175 4.8 38.2 1.0
OD1 J:ASP176 4.8 42.7 1.0
CB J:SER181 4.9 42.8 1.0
NH2 Z:ARG19 4.9 52.6 1.0
CB J:VAL175 4.9 38.6 1.0
C J:ASP205 5.0 40.8 1.0

Sodium binding site 5 out of 13 in 7awe

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Sodium binding site 5 out of 13 in the Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Na302

b:55.3
occ:1.00
 O J:HOH424 2.2 47.0 1.0
OG J:SER139 2.5 44.3 1.0
O J:VAL138 2.5 39.8 1.0
O J:HOH450 2.8 46.5 1.0
O J:HOH442 3.3 25.8 1.0
CB J:SER139 3.5 41.2 1.0
O J:HOH405 3.5 60.0 1.0
CA J:SER139 3.5 39.7 1.0
C J:VAL138 3.6 40.0 1.0
O I:HOH435 3.7 52.7 1.0
N J:SER139 4.0 39.8 1.0
O J:HOH433 4.5 36.9 1.0
OE1 J:GLU106 4.5 49.5 1.0
CB J:GLU106 4.6 42.3 1.0
CD J:GLU106 4.6 48.9 1.0
OG J:SER123 4.8 48.9 1.0
C J:SER139 4.8 39.1 1.0
CA J:VAL138 4.9 40.2 1.0
OH J:TYR147 4.9 42.6 1.0
OE2 J:GLU106 4.9 49.5 1.0
CB J:SER123 5.0 45.7 1.0

Sodium binding site 6 out of 13 in 7awe

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Sodium binding site 6 out of 13 in the Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Na902

b:34.5
occ:1.00
 O L:ASP167 2.2 39.8 1.0
O X:ASP205 2.2 44.1 1.0
O L:THR164 2.3 39.7 1.0
O X:HOH460 2.3 32.5 1.0
O L:SER170 2.5 40.6 1.0
C X:ASP205 3.1 43.4 1.0
C L:ASP167 3.2 39.4 1.0
C L:THR164 3.4 39.6 1.0
CA L:SER168 3.5 41.1 1.0
NH1 L:ARG19 3.6 46.9 1.0
N L:SER168 3.7 40.2 1.0
C L:SER170 3.7 39.9 1.0
CA X:ASP205 3.8 42.6 1.0
C L:SER168 3.8 41.2 1.0
OXT X:ASP205 4.0 43.3 1.0
O L:SER168 4.0 41.7 1.0
CA L:THR164 4.1 40.1 1.0
CB X:ASP205 4.1 43.9 1.0
N L:SER170 4.2 39.8 1.0
O X:HOH419 4.2 42.0 1.0
CA L:ASP167 4.4 37.9 1.0
CZ L:ARG19 4.4 47.8 1.0
N L:ASP167 4.5 37.0 1.0
N L:HIS165 4.5 39.1 1.0
CA L:SER170 4.5 39.3 1.0
N L:TYR169 4.6 41.0 1.0
O L:HIS165 4.6 37.0 1.0
C L:HIS165 4.6 37.0 1.0
CB L:THR164 4.6 41.6 1.0
N L:GLY171 4.7 39.4 1.0
CA L:HIS165 4.8 38.3 1.0
CB L:SER168 4.8 43.6 1.0
NH2 L:ARG19 4.8 47.4 1.0
CB L:SER170 4.8 39.4 1.0
CA L:GLY171 4.9 40.1 1.0
O X:HOH424 4.9 48.4 1.0

Sodium binding site 7 out of 13 in 7awe

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Sodium binding site 7 out of 13 in the Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 7 of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Na301

b:51.2
occ:1.00
 O M:THR189 2.4 42.7 1.0
O M:ALA183 2.5 45.0 1.0
O M:ASP186 2.8 41.8 1.0
C M:ALA183 3.5 44.0 1.0
C M:THR189 3.6 42.0 1.0
O M:ASP213 3.7 53.2 1.0
CA M:ALA183 3.8 44.1 1.0
NH1 M:ARG28 3.8 35.0 1.0
C M:ASP186 3.9 40.8 1.0
CA M:VAL187 4.1 39.5 1.0
O M:VAL187 4.1 40.5 1.0
C M:VAL187 4.2 39.7 1.0
CB M:ALA183 4.3 43.6 1.0
CA M:GLY190 4.3 42.2 1.0
N M:GLY190 4.4 41.6 1.0
N M:VAL187 4.4 40.1 1.0
N M:THR189 4.5 42.0 1.0
CZ M:ARG28 4.5 36.5 1.0
C M:ASP213 4.6 52.4 1.0
CA M:THR189 4.7 41.9 1.0
NH2 M:ARG28 4.7 34.1 1.0
N M:GLU184 4.7 43.0 1.0
OXT M:ASP213 4.9 50.5 1.0
O M:ARG211 4.9 48.3 1.0
N M:TYR188 4.9 39.3 1.0

Sodium binding site 8 out of 13 in 7awe

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Sodium binding site 8 out of 13 in the Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 8 of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Na301

b:42.7
occ:1.00
 O O:ASN128 2.2 46.8 1.0
O O:TYR125 2.2 46.4 1.0
O O:MET131 2.4 44.5 1.0
OG1 O:THR14 2.4 53.0 1.0
O O:HOH411 2.6 41.6 1.0
CG2 O:THR14 3.3 52.3 1.0
C O:ASN128 3.4 46.3 1.0
CB O:THR14 3.4 52.2 1.0
C O:TYR125 3.4 46.6 1.0
C O:MET131 3.6 44.9 1.0
CA O:ALA129 3.8 46.2 1.0
O O:ALA129 3.9 46.4 1.0
C O:ALA129 4.0 46.5 1.0
N O:ALA129 4.1 45.8 1.0
CA O:TYR125 4.2 46.9 1.0
N O:MET131 4.3 46.4 1.0
O U:HOH405 4.4 37.5 1.0
N O:THR14 4.4 52.0 1.0
N O:THR126 4.4 46.3 1.0
N O:ASN128 4.5 45.2 1.0
SD O:MET131 4.5 54.5 1.0
CA O:ASN128 4.5 45.8 1.0
CA O:THR14 4.5 51.8 1.0
CA O:MET131 4.5 45.7 1.0
N O:ARG132 4.5 44.5 1.0
CA O:ARG132 4.5 44.6 1.0
C O:THR126 4.8 46.3 1.0
N O:GLU130 4.8 46.5 1.0
CA O:THR126 4.8 46.2 1.0
CD O:PRO133 4.8 43.7 1.0
CB O:TYR125 4.9 46.9 1.0
CG O:MET131 4.9 47.6 1.0
C O:ARG132 4.9 45.1 1.0
N O:GLN127 5.0 45.9 1.0

Sodium binding site 9 out of 13 in 7awe

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Sodium binding site 9 out of 13 in the Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 9 of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
V:Na902

b:52.7
occ:1.00
 O V:MET163 2.3 41.8 1.0
O V:ASP166 2.4 40.4 1.0
O V:SER169 2.5 38.8 1.0
C V:ASP166 3.4 40.5 1.0
C V:MET163 3.5 41.4 1.0
C V:SER169 3.7 38.2 1.0
NH1 V:ARG19 3.8 56.1 1.0
CA V:GLY167 4.1 39.6 1.0
N V:GLY167 4.1 39.8 1.0
N V:ASP166 4.3 40.6 1.0
CA V:MET163 4.4 40.6 1.0
O V:GLY167 4.4 40.2 1.0
C V:GLY167 4.4 39.9 1.0
CA V:ASP166 4.4 40.7 1.0
N V:SER164 4.4 41.9 1.0
CA V:GLY170 4.5 38.3 1.0
O N:HOH352 4.5 50.5 1.0
CA V:SER164 4.5 43.0 1.0
C V:SER164 4.5 43.2 1.0
N V:GLY170 4.5 37.6 1.0
N V:SER169 4.6 38.4 1.0
CZ V:ARG19 4.7 57.1 1.0
CA V:SER169 4.7 37.9 1.0
O V:SER164 4.7 44.2 1.0
N V:ARG165 5.0 42.5 1.0

Sodium binding site 10 out of 13 in 7awe

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Sodium binding site 10 out of 13 in the Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 10 of Human Immunoproteasome 20S Particle in Complex with [(1R)-2-(1- Benzofuran-3-Yl)-1-{[(1S,2R,4R)-7-Oxabicyclo[2.2.1]Heptan-2- Yl]Formamido}Ethyl]Boronic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
W:Na301

b:40.9
occ:1.00
 O W:ILE163 2.2 40.6 1.0
O W:ASP166 2.3 41.1 1.0
O W:HOH416 2.4 37.7 1.0
OXT M:ASP213 2.4 50.5 1.0
O W:SER169 2.5 39.4 1.0
C M:ASP213 3.3 52.4 1.0
C W:ASP166 3.3 40.1 1.0
C W:ILE163 3.4 39.5 1.0
CA M:ASP213 3.6 51.2 1.0
C W:SER169 3.6 39.1 1.0
CB M:ASP213 3.8 51.5 1.0
NH1 W:ARG19 3.8 55.7 1.0
CA W:LEU167 4.0 39.4 1.0
N W:LEU167 4.0 39.4 1.0
O W:LEU164 4.2 40.2 1.0
N W:ASP166 4.2 40.6 1.0
C W:LEU164 4.3 39.6 1.0
C W:LEU167 4.3 39.2 1.0
N W:LEU164 4.3 38.9 1.0
CA W:ASP166 4.3 40.0 1.0
CA W:LEU164 4.4 38.6 1.0
N W:SER169 4.4 37.7 1.0
CA W:ILE163 4.4 37.8 1.0
O W:LEU167 4.4 39.7 1.0
O M:ASP213 4.4 53.2 1.0
CA W:SER169 4.4 37.8 1.0
O W:GLY162 4.5 39.5 1.0
N W:GLY170 4.5 39.6 1.0
CA W:GLY170 4.5 40.5 1.0
CZ W:ARG19 4.6 57.3 1.0
CB W:SER169 4.7 38.0 1.0
CG M:ASP213 4.7 53.4 1.0
NH2 W:ARG19 4.8 59.4 1.0
N W:GLY165 4.9 39.6 1.0
N M:ASP213 5.0 50.6 1.0

Reference:

M.P.Sanderson, M.Friese-Hamim, G.Walter-Bausch, M.Busch, S.Gaus, D.Musil, F.Rohdich, U.Zanelli, S.L.Downey-Kopyscinski, C.S.Mitsiades, O.Schadt, M.Klein, C.Esdar. M3258 Is A Selective Inhibitor of the Immunoproteasome Subunit LMP7 ( Beta 5I) Delivering Efficacy in Multiple Myeloma Models. Mol.Cancer Ther. 2021.
ISSN: ESSN 1538-8514
PubMed: 34045234
DOI: 10.1158/1535-7163.MCT-21-0005
Page generated: Mon Aug 18 09:12:44 2025

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