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Chlorine in PDB 5bxn: Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib

Enzymatic activity of Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib

All present enzymatic activity of Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib:
3.4.25.1;

Protein crystallography data

The structure of Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib, PDB code: 5bxn was solved by E.M.Huber, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 134.220, 300.860, 144.100, 90.00, 112.32, 90.00
R / Rfree (%) 19.8 / 21.8

Other elements in 5bxn:

The structure of Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib also contains other interesting chemical elements:

Magnesium (Mg) 9 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib (pdb code 5bxn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib, PDB code: 5bxn:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5bxn

Go back to Chlorine Binding Sites List in 5bxn
Chlorine binding site 1 out of 4 in the Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:50.7
occ:1.00
 OH H:TYR69 2.9 43.5 1.0
NH1 G:ARG111 3.0 50.6 1.0
OD1 G:ASN114 3.3 52.4 1.0
CD G:ARG111 3.7 50.4 1.0
CB G:ASN114 3.7 49.2 1.0
CZ H:TYR69 3.8 43.8 1.0
CE2 H:TYR69 3.8 43.5 1.0
CG G:ASN114 3.9 50.6 1.0
CZ G:ARG111 4.0 50.4 1.0
NE G:ARG111 4.3 50.9 1.0
CA G:ARG111 4.7 50.9 1.0
O G:ARG111 4.8 54.9 1.0
CG G:ARG111 5.0 50.6 1.0

Chlorine binding site 2 out of 4 in 5bxn

Go back to Chlorine Binding Sites List in 5bxn
Chlorine binding site 2 out of 4 in the Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl203

b:49.0
occ:1.00
 NH2 N:ARG45 3.0 46.4 1.0
NE2 N:GLN53 3.2 39.9 1.0
NH1 N:ARG45 3.4 48.5 1.0
CG2 N:THR31 3.6 51.7 1.0
CZ N:ARG45 3.7 46.5 1.0
C25 N:BO2201 4.1 39.6 1.0
CB N:ALA49 4.1 43.6 1.0
CD N:GLN53 4.3 39.1 1.0
C24 N:BO2201 4.4 39.5 1.0
CG N:GLN53 4.5 39.6 1.0
O H:THR119 4.6 50.7 1.0
CB a:TYR228 4.8 48.4 1.0
CA N:ALA49 4.8 43.4 1.0
O N:ASP32 4.8 49.8 1.0
C23 N:BO2201 4.8 39.6 1.0
CD2 a:TYR228 5.0 45.1 1.0
O N:ALA49 5.0 43.7 1.0

Chlorine binding site 3 out of 4 in 5bxn

Go back to Chlorine Binding Sites List in 5bxn
Chlorine binding site 3 out of 4 in the Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:48.6
occ:1.00
 OH V:TYR69 2.9 47.2 1.0
NH1 U:ARG111 3.1 54.5 1.0
OD1 U:ASN114 3.2 59.3 1.0
CD U:ARG111 3.6 52.0 1.0
CE2 V:TYR69 3.6 45.3 1.0
CZ V:TYR69 3.7 46.2 1.0
CB U:ASN114 3.8 51.6 1.0
CG U:ASN114 3.8 55.0 1.0
CZ U:ARG111 4.1 54.8 1.0
NE U:ARG111 4.3 54.2 1.0
CA U:ARG111 4.6 50.2 1.0
O U:ARG111 4.8 49.9 1.0
CG U:ARG111 4.9 50.7 1.0
O U:HOH414 4.9 40.4 1.0
CD2 V:TYR69 4.9 45.9 1.0
CB U:ARG111 5.0 50.0 1.0
OD2 O:ASP87 5.0 58.4 1.0
CE1 V:TYR69 5.0 47.3 1.0

Chlorine binding site 4 out of 4 in 5bxn

Go back to Chlorine Binding Sites List in 5bxn
Chlorine binding site 4 out of 4 in the Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Yeast 20S Proteasome BETA2-G170A Mutant in Complex with Bortezomib within 5.0Å range:
probe atom residue distance (Å) B Occ
b:Cl202

b:53.5
occ:1.00
 NH2 b:ARG45 3.0 44.6 1.0
NE2 b:GLN53 3.1 40.0 1.0
NH1 b:ARG45 3.4 48.5 1.0
CZ b:ARG45 3.6 46.2 1.0
CG2 b:THR31 3.7 49.0 1.0
C25 b:BO2201 4.1 44.6 1.0
CB b:ALA49 4.1 44.4 1.0
CD b:GLN53 4.2 39.6 1.0
C24 b:BO2201 4.4 45.0 1.0
CG b:GLN53 4.4 40.6 1.0
O V:THR119 4.6 46.1 1.0
CB M:TYR228 4.7 52.2 1.0
O b:ASP32 4.8 54.5 1.0
CA b:ALA49 4.8 44.7 1.0
CD2 M:TYR228 4.9 47.7 1.0
C23 b:BO2201 4.9 44.8 1.0
NE b:ARG45 4.9 46.0 1.0
O b:ALA49 4.9 47.2 1.0

Reference:

I.Treise, E.M.Huber, T.Klein-Rodewald, W.Heinemeyer, S.A.Grassmann, M.Basler, T.Adler, B.Rathkolb, L.Helming, C.Andres, M.Klaften, C.Landbrecht, T.Wieland, T.M.Strom, K.D.Mccoy, A.J.Macpherson, E.Wolf, M.Groettrup, M.Ollert, F.Neff, V.Gailus-Durner, H.Fuchs, M.Hrabe De Angelis, M.Groll, D.H.Busch. Defective Immuno- and Thymoproteasome Assembly Causes Severe Immunodeficiency. Sci Rep V. 8 5975 2018.
ISSN: ESSN 2045-2322
PubMed: 29654304
DOI: 10.1038/S41598-018-24199-0
Page generated: Sat Dec 12 11:33:43 2020

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