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Chlorine in PDB 5fge: Yeast 20S Proteasome BETA5-H(-2)T-T1A Double Mutant in Complex with Carfilzomib

Enzymatic activity of Yeast 20S Proteasome BETA5-H(-2)T-T1A Double Mutant in Complex with Carfilzomib

All present enzymatic activity of Yeast 20S Proteasome BETA5-H(-2)T-T1A Double Mutant in Complex with Carfilzomib:
3.4.25.1;

Protein crystallography data

The structure of Yeast 20S Proteasome BETA5-H(-2)T-T1A Double Mutant in Complex with Carfilzomib, PDB code: 5fge 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 / 2.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 136.160, 301.550, 145.790, 90.00, 113.20, 90.00
R / Rfree (%) 19 / 21.4

Other elements in 5fge:

The structure of Yeast 20S Proteasome BETA5-H(-2)T-T1A Double Mutant in Complex with Carfilzomib also contains other interesting chemical elements:

Magnesium (Mg) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Yeast 20S Proteasome BETA5-H(-2)T-T1A Double Mutant in Complex with Carfilzomib (pdb code 5fge). 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-H(-2)T-T1A Double Mutant in Complex with Carfilzomib, PDB code: 5fge:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5fge

Go back to Chlorine Binding Sites List in 5fge
Chlorine binding site 1 out of 4 in the Yeast 20S Proteasome BETA5-H(-2)T-T1A Double Mutant in Complex with Carfilzomib


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-H(-2)T-T1A Double Mutant in Complex with Carfilzomib within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:49.6
occ:1.00
 OH H:TYR69 2.9 46.4 1.0
NH1 G:ARG111 3.0 43.8 1.0
ND2 G:ASN114 3.2 42.5 1.0
CD G:ARG111 3.6 40.2 1.0
CE2 H:TYR69 3.7 44.0 1.0
CZ H:TYR69 3.7 44.9 1.0
CB G:ASN114 3.8 41.6 1.0
CG G:ASN114 4.0 42.5 1.0
CZ G:ARG111 4.0 43.1 1.0
NE G:ARG111 4.3 42.4 1.0
CA G:ARG111 4.7 39.4 1.0
O G:ARG111 4.8 41.0 1.0
CG G:ARG111 5.0 39.0 1.0
CD2 H:TYR69 5.0 43.3 1.0

Chlorine binding site 2 out of 4 in 5fge

Go back to Chlorine Binding Sites List in 5fge
Chlorine binding site 2 out of 4 in the Yeast 20S Proteasome BETA5-H(-2)T-T1A Double Mutant in Complex with Carfilzomib


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-H(-2)T-T1A Double Mutant in Complex with Carfilzomib within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl203

b:50.0
occ:1.00
 NH2 N:ARG45 3.0 43.2 1.0
NH1 N:ARG45 3.1 41.5 1.0
NE2 N:GLN53 3.1 39.0 1.0
CZ N:ARG45 3.5 41.0 1.0
CG2 N:THR31 3.7 44.5 1.0
C45 N:3BV201 3.9 38.5 1.0
CB N:ALA49 4.1 39.2 1.0
C46 N:3BV201 4.1 40.3 1.0
CD N:GLN53 4.2 39.0 1.0
CG N:GLN53 4.4 38.0 1.0
OD1 H:ASP120 4.5 85.5 1.0
C44 N:3BV201 4.6 39.6 1.0
CA N:ALA49 4.6 39.9 1.0
O H:THR119 4.7 48.8 1.0
O N:ALA49 4.8 40.9 1.0
NE N:ARG45 4.8 39.4 1.0
O N:ASP32 4.8 43.6 1.0
CB a:TYR228 4.9 52.4 1.0

Chlorine binding site 3 out of 4 in 5fge

Go back to Chlorine Binding Sites List in 5fge
Chlorine binding site 3 out of 4 in the Yeast 20S Proteasome BETA5-H(-2)T-T1A Double Mutant in Complex with Carfilzomib


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-H(-2)T-T1A Double Mutant in Complex with Carfilzomib within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:47.4
occ:1.00
 OH V:TYR69 2.8 50.4 1.0
ND2 U:ASN114 3.0 50.9 1.0
NH1 U:ARG111 3.1 55.1 1.0
CB U:ASN114 3.6 49.0 1.0
CZ V:TYR69 3.7 53.0 1.0
CE2 V:TYR69 3.7 53.7 1.0
CG U:ASN114 3.8 50.1 1.0
CD U:ARG111 3.8 48.8 1.0
CZ U:ARG111 4.2 53.2 1.0
NE U:ARG111 4.5 52.3 1.0
CA U:ARG111 4.8 46.5 1.0
O U:ARG111 4.8 46.8 1.0
OD2 O:ASP87 5.0 64.3 1.0
CE1 V:TYR69 5.0 51.9 1.0
CD2 V:TYR69 5.0 53.5 1.0

Chlorine binding site 4 out of 4 in 5fge

Go back to Chlorine Binding Sites List in 5fge
Chlorine binding site 4 out of 4 in the Yeast 20S Proteasome BETA5-H(-2)T-T1A Double Mutant in Complex with Carfilzomib


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-H(-2)T-T1A Double Mutant in Complex with Carfilzomib within 5.0Å range:
probe atom residue distance (Å) B Occ
b:Cl202

b:53.3
occ:1.00
 NH2 b:ARG45 3.0 42.5 1.0
NE2 b:GLN53 3.1 43.7 1.0
NH1 b:ARG45 3.2 42.7 1.0
CZ b:ARG45 3.5 41.7 1.0
CG2 b:THR31 3.6 47.8 1.0
C45 b:3BV201 4.1 41.5 1.0
CB b:ALA49 4.2 43.4 1.0
CD b:GLN53 4.2 42.8 1.0
C46 b:3BV201 4.3 43.3 1.0
OD1 V:ASP120 4.4 79.0 1.0
CG b:GLN53 4.5 41.5 1.0
O V:THR119 4.6 48.8 1.0
O b:ASP32 4.7 48.1 1.0
C44 b:3BV201 4.7 41.9 1.0
CB M:TYR228 4.8 57.1 1.0
CA b:ALA49 4.8 43.4 1.0
NE b:ARG45 4.9 40.3 1.0
O b:ALA49 4.9 41.8 1.0
CD2 M:TYR228 5.0 49.9 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 07:51:24 2024

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