5FMG

Structure and function based design of Plasmodium-selective proteasome inhibitors

Functional Information from GO Data

Chain	GOid	namespace	contents
a	0005839	cellular_component	proteasome core complex
a	0030163	biological_process	protein catabolic process
A	0004175	molecular_function	endopeptidase activity
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005839	cellular_component	proteasome core complex
A	0006511	biological_process	ubiquitin-dependent protein catabolic process
A	0019773	cellular_component	proteasome core complex, alpha-subunit complex
A	0030163	biological_process	protein catabolic process
A	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
b	0005634	cellular_component	nucleus
b	0005737	cellular_component	cytoplasm
b	0005829	cellular_component	cytosol
b	0005839	cellular_component	proteasome core complex
b	0019774	cellular_component	proteasome core complex, beta-subunit complex
b	0030163	biological_process	protein catabolic process
b	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
B	0004175	molecular_function	endopeptidase activity
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005839	cellular_component	proteasome core complex
B	0006511	biological_process	ubiquitin-dependent protein catabolic process
B	0019773	cellular_component	proteasome core complex, alpha-subunit complex
B	0030163	biological_process	protein catabolic process
B	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
C	0004175	molecular_function	endopeptidase activity
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0005839	cellular_component	proteasome core complex
C	0006511	biological_process	ubiquitin-dependent protein catabolic process
C	0019773	cellular_component	proteasome core complex, alpha-subunit complex
C	0030163	biological_process	protein catabolic process
C	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
D	0004175	molecular_function	endopeptidase activity
D	0005634	cellular_component	nucleus
D	0005737	cellular_component	cytoplasm
D	0005839	cellular_component	proteasome core complex
D	0006511	biological_process	ubiquitin-dependent protein catabolic process
D	0019773	cellular_component	proteasome core complex, alpha-subunit complex
D	0030163	biological_process	protein catabolic process
D	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
E	0004175	molecular_function	endopeptidase activity
E	0005634	cellular_component	nucleus
E	0005737	cellular_component	cytoplasm
E	0005839	cellular_component	proteasome core complex
E	0006511	biological_process	ubiquitin-dependent protein catabolic process
E	0019773	cellular_component	proteasome core complex, alpha-subunit complex
E	0030163	biological_process	protein catabolic process
E	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
F	0004175	molecular_function	endopeptidase activity
F	0005634	cellular_component	nucleus
F	0005737	cellular_component	cytoplasm
F	0005839	cellular_component	proteasome core complex
F	0006511	biological_process	ubiquitin-dependent protein catabolic process
F	0019773	cellular_component	proteasome core complex, alpha-subunit complex
F	0030163	biological_process	protein catabolic process
F	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
G	0004175	molecular_function	endopeptidase activity
G	0005634	cellular_component	nucleus
G	0005737	cellular_component	cytoplasm
G	0005839	cellular_component	proteasome core complex
G	0006511	biological_process	ubiquitin-dependent protein catabolic process
G	0019773	cellular_component	proteasome core complex, alpha-subunit complex
G	0030163	biological_process	protein catabolic process
G	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
H	0005839	cellular_component	proteasome core complex
H	0030163	biological_process	protein catabolic process
I	0004298	molecular_function	threonine-type endopeptidase activity
I	0005839	cellular_component	proteasome core complex
I	0030163	biological_process	protein catabolic process
J	0004175	molecular_function	endopeptidase activity
J	0005634	cellular_component	nucleus
J	0005737	cellular_component	cytoplasm
J	0005829	cellular_component	cytosol
J	0005839	cellular_component	proteasome core complex
J	0006511	biological_process	ubiquitin-dependent protein catabolic process
J	0019774	cellular_component	proteasome core complex, beta-subunit complex
J	0030163	biological_process	protein catabolic process
J	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
K	0004175	molecular_function	endopeptidase activity
K	0005634	cellular_component	nucleus
K	0005737	cellular_component	cytoplasm
K	0005829	cellular_component	cytosol
K	0005839	cellular_component	proteasome core complex
K	0006511	biological_process	ubiquitin-dependent protein catabolic process
K	0010498	biological_process	proteasomal protein catabolic process
K	0019774	cellular_component	proteasome core complex, beta-subunit complex
K	0030163	biological_process	protein catabolic process
K	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
L	0004298	molecular_function	threonine-type endopeptidase activity
L	0005839	cellular_component	proteasome core complex
L	0030163	biological_process	protein catabolic process
M	0005839	cellular_component	proteasome core complex
M	0030163	biological_process	protein catabolic process
N	0005634	cellular_component	nucleus
N	0005737	cellular_component	cytoplasm
N	0005829	cellular_component	cytosol
N	0005839	cellular_component	proteasome core complex
N	0019774	cellular_component	proteasome core complex, beta-subunit complex
N	0030163	biological_process	protein catabolic process
N	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
O	0004175	molecular_function	endopeptidase activity
O	0005634	cellular_component	nucleus
O	0005737	cellular_component	cytoplasm
O	0005839	cellular_component	proteasome core complex
O	0006511	biological_process	ubiquitin-dependent protein catabolic process
O	0019773	cellular_component	proteasome core complex, alpha-subunit complex
O	0030163	biological_process	protein catabolic process
O	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
P	0004175	molecular_function	endopeptidase activity
P	0005634	cellular_component	nucleus
P	0005737	cellular_component	cytoplasm
P	0005839	cellular_component	proteasome core complex
P	0006511	biological_process	ubiquitin-dependent protein catabolic process
P	0019773	cellular_component	proteasome core complex, alpha-subunit complex
P	0030163	biological_process	protein catabolic process
P	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
Q	0004175	molecular_function	endopeptidase activity
Q	0005634	cellular_component	nucleus
Q	0005737	cellular_component	cytoplasm
Q	0005829	cellular_component	cytosol
Q	0005839	cellular_component	proteasome core complex
Q	0006511	biological_process	ubiquitin-dependent protein catabolic process
Q	0019773	cellular_component	proteasome core complex, alpha-subunit complex
Q	0030163	biological_process	protein catabolic process
Q	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
R	0004175	molecular_function	endopeptidase activity
R	0005634	cellular_component	nucleus
R	0005737	cellular_component	cytoplasm
R	0005839	cellular_component	proteasome core complex
R	0006511	biological_process	ubiquitin-dependent protein catabolic process
R	0019773	cellular_component	proteasome core complex, alpha-subunit complex
R	0030163	biological_process	protein catabolic process
R	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
S	0004175	molecular_function	endopeptidase activity
S	0005634	cellular_component	nucleus
S	0005737	cellular_component	cytoplasm
S	0005839	cellular_component	proteasome core complex
S	0006511	biological_process	ubiquitin-dependent protein catabolic process
S	0019773	cellular_component	proteasome core complex, alpha-subunit complex
S	0030163	biological_process	protein catabolic process
S	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
T	0004175	molecular_function	endopeptidase activity
T	0005634	cellular_component	nucleus
T	0005737	cellular_component	cytoplasm
T	0005839	cellular_component	proteasome core complex
T	0006511	biological_process	ubiquitin-dependent protein catabolic process
T	0019773	cellular_component	proteasome core complex, alpha-subunit complex
T	0030163	biological_process	protein catabolic process
T	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
U	0004175	molecular_function	endopeptidase activity
U	0005634	cellular_component	nucleus
U	0005737	cellular_component	cytoplasm
U	0005839	cellular_component	proteasome core complex
U	0006511	biological_process	ubiquitin-dependent protein catabolic process
U	0019773	cellular_component	proteasome core complex, alpha-subunit complex
U	0030163	biological_process	protein catabolic process
U	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
V	0005839	cellular_component	proteasome core complex
V	0030163	biological_process	protein catabolic process
W	0004298	molecular_function	threonine-type endopeptidase activity
W	0005839	cellular_component	proteasome core complex
W	0030163	biological_process	protein catabolic process
X	0004175	molecular_function	endopeptidase activity
X	0005634	cellular_component	nucleus
X	0005737	cellular_component	cytoplasm
X	0005829	cellular_component	cytosol
X	0005839	cellular_component	proteasome core complex
X	0006511	biological_process	ubiquitin-dependent protein catabolic process
X	0019774	cellular_component	proteasome core complex, beta-subunit complex
X	0030163	biological_process	protein catabolic process
X	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
Y	0004175	molecular_function	endopeptidase activity
Y	0005634	cellular_component	nucleus
Y	0005737	cellular_component	cytoplasm
Y	0005829	cellular_component	cytosol
Y	0005839	cellular_component	proteasome core complex
Y	0006511	biological_process	ubiquitin-dependent protein catabolic process
Y	0010498	biological_process	proteasomal protein catabolic process
Y	0019774	cellular_component	proteasome core complex, beta-subunit complex
Y	0030163	biological_process	protein catabolic process
Y	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
Z	0004298	molecular_function	threonine-type endopeptidase activity
Z	0005839	cellular_component	proteasome core complex
Z	0030163	biological_process	protein catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	Binding site for Ligand 7F1 I 300 bound to THR I 1

Chain	Residue
I	THR1
J	ALA136
J	ASP138
J	ILE140
J	LYS143
J	CYS144
I	ALA20
I	THR21
I	SER32
I	LYS33
I	GLY47
I	ALA49
I	LEU52
I	SER129

---

site_id	AC2
Number of Residues	14
Details	Binding site for Ligand 7F1 W 300 bound to THR W 1

Chain	Residue
W	THR1
W	ALA20
W	THR21
W	SER32
W	LYS33
W	GLY47
W	ALA49
W	LEU52
W	SER129
X	ALA136
X	ASP138
X	ILE140
X	LYS143
X	CYS144

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Functional Information from PROSITE/UniProt

site_id	PS00388
Number of Residues	23
Details	PROTEASOME_ALPHA_1 Proteasome alpha-type subunits signature. YdraiTvFSPdGHllQVEHAleA

Chain	Residue	Details
D	TYR3-ALA25
E	TYR8-ALA30
C	TYR5-ALA27

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site_id	PS00854
Number of Residues	48
Details	PROTEASOME_BETA_1 Proteasome beta-type subunits signature. LAFkFkdGIIVAVDsrasmgsfissqnve.KiieinknilgtmaGgaAD

Chain	Residue	Details
L	LEU4-ASP51
a	ILE41-ASP88
b	ILE13-ASP60
K	ILE5-ASP53
I	CYS4-ASP51
J	LEU13-ASP61

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