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Chlorine in PDB 5fgh: Yeast 20S Proteasome BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132

Enzymatic activity of Yeast 20S Proteasome BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132

All present enzymatic activity of Yeast 20S Proteasome BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132:
3.4.25.1;

Protein crystallography data

The structure of Yeast 20S Proteasome BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132, PDB code: 5fgh 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 (°) 136.920, 299.860, 145.980, 90.00, 113.13, 90.00
R / Rfree (%) 17.8 / 20.6

Other elements in 5fgh:

The structure of Yeast 20S Proteasome BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132 also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Yeast 20S Proteasome BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132 (pdb code 5fgh). 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 BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132, PDB code: 5fgh:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5fgh

Go back to Chlorine Binding Sites List in 5fgh
Chlorine binding site 1 out of 4 in the Yeast 20S Proteasome BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132


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 BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:54.1
occ:1.00
 OH H:TYR69 2.8 50.9 1.0
NH1 G:ARG111 3.1 47.9 1.0
OD1 G:ASN114 3.3 53.1 1.0
CZ H:TYR69 3.7 49.0 1.0
CE2 H:TYR69 3.7 48.4 1.0
CD G:ARG111 3.7 45.9 1.0
CB G:ASN114 3.7 46.6 1.0
CG G:ASN114 3.8 48.0 1.0
CZ G:ARG111 4.1 48.2 1.0
NE G:ARG111 4.3 48.4 1.0
O G:HOH410 4.5 47.8 1.0
CA G:ARG111 4.7 45.9 1.0
O G:ARG111 4.9 46.8 1.0
CE1 H:TYR69 5.0 48.0 1.0
OD2 A:ASP87 5.0 62.3 1.0
CD2 H:TYR69 5.0 47.1 1.0
CG G:ARG111 5.0 44.3 1.0

Chlorine binding site 2 out of 4 in 5fgh

Go back to Chlorine Binding Sites List in 5fgh
Chlorine binding site 2 out of 4 in the Yeast 20S Proteasome BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132


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 BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132 within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl202

b:50.2
occ:1.00
 NH2 N:ARG45 2.9 47.8 1.0
NE2 N:GLN53 3.0 38.3 1.0
NH1 N:ARG45 3.2 47.5 1.0
CZ N:ARG45 3.5 46.6 1.0
CG2 N:THR31 3.8 49.7 1.0
C21 N:ALD203 4.0 0.6 1.0
CB N:ALA49 4.1 41.8 1.0
CD N:GLN53 4.1 38.4 1.0
OD1 H:ASP120 4.3 91.7 1.0
CG N:GLN53 4.3 38.8 1.0
C20 N:ALD203 4.5 0.8 1.0
O H:THR119 4.5 51.0 1.0
CB a:TYR228 4.7 48.5 1.0
CA N:ALA49 4.7 43.4 1.0
O N:ASP32 4.8 52.4 1.0
C19 N:ALD203 4.8 0.1 1.0
NE N:ARG45 4.8 45.1 1.0
O N:ALA49 4.9 42.5 1.0
CD2 a:TYR228 4.9 44.6 1.0

Chlorine binding site 3 out of 4 in 5fgh

Go back to Chlorine Binding Sites List in 5fgh
Chlorine binding site 3 out of 4 in the Yeast 20S Proteasome BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132


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 BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132 within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:47.4
occ:1.00
 OH V:TYR69 2.9 54.4 1.0
NH1 U:ARG111 3.0 54.4 1.0
OD1 U:ASN114 3.2 59.4 1.0
CB U:ASN114 3.6 50.4 1.0
CD U:ARG111 3.7 50.1 1.0
CE2 V:TYR69 3.8 51.3 1.0
CZ V:TYR69 3.8 53.5 1.0
CG U:ASN114 3.8 54.1 1.0
CZ U:ARG111 4.1 53.4 1.0
NE U:ARG111 4.3 52.5 1.0
O U:HOH417 4.7 65.4 1.0
CA U:ARG111 4.7 48.7 1.0
O U:ARG111 4.8 50.5 1.0
ND2 U:ASN114 4.9 52.9 1.0
OD2 O:ASP87 5.0 72.0 1.0
CG U:ARG111 5.0 48.4 1.0

Chlorine binding site 4 out of 4 in 5fgh

Go back to Chlorine Binding Sites List in 5fgh
Chlorine binding site 4 out of 4 in the Yeast 20S Proteasome BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132


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 BETA5-K33A Mutant (Propeptide Expressed in Trans) in Complex with MG132 within 5.0Å range:
probe atom residue distance (Å) B Occ
b:Cl201

b:64.8
occ:1.00
 NE2 b:GLN53 3.1 41.3 1.0
NH2 b:ARG45 3.1 45.1 1.0
NH1 b:ARG45 3.4 51.0 1.0
CG2 b:THR31 3.7 50.1 1.0
CZ b:ARG45 3.7 47.0 1.0
C21 b:ALD202 3.9 1.0 1.0
CB b:ALA49 4.1 45.6 1.0
OD1 V:ASP120 4.1 88.8 1.0
CD b:GLN53 4.2 40.6 1.0
O V:THR119 4.5 50.8 1.0
CG b:GLN53 4.5 41.7 1.0
C20 b:ALD202 4.5 96.4 1.0
CB M:TYR228 4.7 52.5 1.0
CA b:ALA49 4.8 46.0 1.0
C19 b:ALD202 4.8 0.3 1.0
O b:ASP32 4.9 53.6 1.0
OG1 b:THR20 4.9 48.8 1.0

Reference:

E.M.Huber, W.Heinemeyer, X.Li, C.S.Arendt, M.Hochstrasser, M.Groll. A Unified Mechanism For Proteolysis and Autocatalytic Activation in the 20S Proteasome. Nat Commun V. 7 10900 2016.
ISSN: ESSN 2041-1723
PubMed: 26964885
DOI: 10.1038/NCOMMS10900
Page generated: Fri Jul 26 07:52:11 2024

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