1JD2

Crystal Structure of the yeast 20S Proteasome:TMC-95A complex: A non-covalent Proteasome Inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
1	0005839	cellular_component	proteasome core complex
1	0006511	biological_process	ubiquitin-dependent protein catabolic process
1	0019773	cellular_component	proteasome core complex, alpha-subunit complex
1	0051603	biological_process	proteolysis involved in protein catabolic process
2	0000502	cellular_component	proteasome complex
2	0003674	molecular_function	molecular_function
2	0005515	molecular_function	protein binding
2	0005634	cellular_component	nucleus
2	0005737	cellular_component	cytoplasm
2	0005739	cellular_component	mitochondrion
2	0005839	cellular_component	proteasome core complex
2	0006511	biological_process	ubiquitin-dependent protein catabolic process
2	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
2	0019773	cellular_component	proteasome core complex, alpha-subunit complex
2	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
2	0051603	biological_process	proteolysis involved in protein catabolic process
A	0000502	cellular_component	proteasome complex
A	0003674	molecular_function	molecular_function
A	0005515	molecular_function	protein binding
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	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
A	0019773	cellular_component	proteasome core complex, alpha-subunit complex
A	0034515	cellular_component	proteasome storage granule
A	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
A	0051603	biological_process	proteolysis involved in protein catabolic process
B	0000502	cellular_component	proteasome complex
B	0003674	molecular_function	molecular_function
B	0005515	molecular_function	protein binding
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0005839	cellular_component	proteasome core complex
B	0006511	biological_process	ubiquitin-dependent protein catabolic process
B	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
B	0019773	cellular_component	proteasome core complex, alpha-subunit complex
B	0034515	cellular_component	proteasome storage granule
B	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
B	0051603	biological_process	proteolysis involved in protein catabolic process
B	0080129	biological_process	proteasome core complex assembly
C	0000502	cellular_component	proteasome complex
C	0003674	molecular_function	molecular_function
C	0005515	molecular_function	protein binding
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0005839	cellular_component	proteasome core complex
C	0006511	biological_process	ubiquitin-dependent protein catabolic process
C	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
C	0019773	cellular_component	proteasome core complex, alpha-subunit complex
C	0034515	cellular_component	proteasome storage granule
C	0042175	cellular_component	nuclear outer membrane-endoplasmic reticulum membrane network
C	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
C	0051603	biological_process	proteolysis involved in protein catabolic process
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	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
D	0051603	biological_process	proteolysis involved in protein catabolic process
E	0000502	cellular_component	proteasome complex
E	0003674	molecular_function	molecular_function
E	0005515	molecular_function	protein binding
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	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
E	0019773	cellular_component	proteasome core complex, alpha-subunit complex
E	0034515	cellular_component	proteasome storage granule
E	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
E	0051603	biological_process	proteolysis involved in protein catabolic process
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	0051603	biological_process	proteolysis involved in protein catabolic process
G	0000502	cellular_component	proteasome complex
G	0003674	molecular_function	molecular_function
G	0005515	molecular_function	protein binding
G	0005634	cellular_component	nucleus
G	0005737	cellular_component	cytoplasm
G	0005739	cellular_component	mitochondrion
G	0005839	cellular_component	proteasome core complex
G	0006511	biological_process	ubiquitin-dependent protein catabolic process
G	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
G	0019773	cellular_component	proteasome core complex, alpha-subunit complex
G	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
G	0051603	biological_process	proteolysis involved in protein catabolic process
H	0004298	molecular_function	threonine-type endopeptidase activity
H	0005839	cellular_component	proteasome core complex
H	0051603	biological_process	proteolysis involved in protein catabolic process
I	0000502	cellular_component	proteasome complex
I	0005515	molecular_function	protein binding
I	0005634	cellular_component	nucleus
I	0005737	cellular_component	cytoplasm
I	0005829	cellular_component	cytosol
I	0005839	cellular_component	proteasome core complex
I	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
I	0019774	cellular_component	proteasome core complex, beta-subunit complex
I	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
I	0051603	biological_process	proteolysis involved in protein catabolic process
I	0061133	molecular_function	endopeptidase activator activity
J	0000502	cellular_component	proteasome complex
J	0005515	molecular_function	protein binding
J	0005634	cellular_component	nucleus
J	0005737	cellular_component	cytoplasm
J	0005789	cellular_component	endoplasmic reticulum membrane
J	0005829	cellular_component	cytosol
J	0005839	cellular_component	proteasome core complex
J	0010498	biological_process	proteasomal protein catabolic process
J	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
J	0019774	cellular_component	proteasome core complex, beta-subunit complex
J	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
J	0051603	biological_process	proteolysis involved in protein catabolic process
J	0061133	molecular_function	endopeptidase activator activity
K	0004298	molecular_function	threonine-type endopeptidase activity
K	0005839	cellular_component	proteasome core complex
K	0051603	biological_process	proteolysis involved in protein catabolic process
L	0000502	cellular_component	proteasome complex
L	0003674	molecular_function	molecular_function
L	0005515	molecular_function	protein binding
L	0005634	cellular_component	nucleus
L	0005737	cellular_component	cytoplasm
L	0005829	cellular_component	cytosol
L	0005839	cellular_component	proteasome core complex
L	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
L	0019774	cellular_component	proteasome core complex, beta-subunit complex
L	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
L	0051603	biological_process	proteolysis involved in protein catabolic process
M	0005839	cellular_component	proteasome core complex
M	0051603	biological_process	proteolysis involved in protein catabolic process
N	0000502	cellular_component	proteasome complex
N	0004175	molecular_function	endopeptidase activity
N	0004298	molecular_function	threonine-type endopeptidase activity
N	0005515	molecular_function	protein binding
N	0005634	cellular_component	nucleus
N	0005737	cellular_component	cytoplasm
N	0005829	cellular_component	cytosol
N	0005839	cellular_component	proteasome core complex
N	0006508	biological_process	proteolysis
N	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
N	0019774	cellular_component	proteasome core complex, beta-subunit complex
N	0034515	cellular_component	proteasome storage granule
N	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
N	0051603	biological_process	proteolysis involved in protein catabolic process
O	0004298	molecular_function	threonine-type endopeptidase activity
O	0005839	cellular_component	proteasome core complex
O	0051603	biological_process	proteolysis involved in protein catabolic process
P	0000502	cellular_component	proteasome complex
P	0005515	molecular_function	protein binding
P	0005634	cellular_component	nucleus
P	0005737	cellular_component	cytoplasm
P	0005829	cellular_component	cytosol
P	0005839	cellular_component	proteasome core complex
P	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
P	0019774	cellular_component	proteasome core complex, beta-subunit complex
P	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
P	0051603	biological_process	proteolysis involved in protein catabolic process
P	0061133	molecular_function	endopeptidase activator activity
Q	0000502	cellular_component	proteasome complex
Q	0005515	molecular_function	protein binding
Q	0005634	cellular_component	nucleus
Q	0005737	cellular_component	cytoplasm
Q	0005789	cellular_component	endoplasmic reticulum membrane
Q	0005829	cellular_component	cytosol
Q	0005839	cellular_component	proteasome core complex
Q	0010498	biological_process	proteasomal protein catabolic process
Q	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
Q	0019774	cellular_component	proteasome core complex, beta-subunit complex
Q	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
Q	0051603	biological_process	proteolysis involved in protein catabolic process
Q	0061133	molecular_function	endopeptidase activator activity
R	0004298	molecular_function	threonine-type endopeptidase activity
R	0005839	cellular_component	proteasome core complex
R	0051603	biological_process	proteolysis involved in protein catabolic process
S	0000502	cellular_component	proteasome complex
S	0003674	molecular_function	molecular_function
S	0005515	molecular_function	protein binding
S	0005634	cellular_component	nucleus
S	0005737	cellular_component	cytoplasm
S	0005829	cellular_component	cytosol
S	0005839	cellular_component	proteasome core complex
S	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
S	0019774	cellular_component	proteasome core complex, beta-subunit complex
S	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
S	0051603	biological_process	proteolysis involved in protein catabolic process
T	0005839	cellular_component	proteasome core complex
T	0051603	biological_process	proteolysis involved in protein catabolic process
U	0000502	cellular_component	proteasome complex
U	0004175	molecular_function	endopeptidase activity
U	0004298	molecular_function	threonine-type endopeptidase activity
U	0005515	molecular_function	protein binding
U	0005634	cellular_component	nucleus
U	0005737	cellular_component	cytoplasm
U	0005829	cellular_component	cytosol
U	0005839	cellular_component	proteasome core complex
U	0006508	biological_process	proteolysis
U	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
U	0019774	cellular_component	proteasome core complex, beta-subunit complex
U	0034515	cellular_component	proteasome storage granule
U	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
U	0051603	biological_process	proteolysis involved in protein catabolic process
V	0000502	cellular_component	proteasome complex
V	0003674	molecular_function	molecular_function
V	0005515	molecular_function	protein binding
V	0005634	cellular_component	nucleus
V	0005737	cellular_component	cytoplasm
V	0005839	cellular_component	proteasome core complex
V	0006511	biological_process	ubiquitin-dependent protein catabolic process
V	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
V	0019773	cellular_component	proteasome core complex, alpha-subunit complex
V	0034515	cellular_component	proteasome storage granule
V	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
V	0051603	biological_process	proteolysis involved in protein catabolic process
W	0000502	cellular_component	proteasome complex
W	0003674	molecular_function	molecular_function
W	0005515	molecular_function	protein binding
W	0005634	cellular_component	nucleus
W	0005737	cellular_component	cytoplasm
W	0005829	cellular_component	cytosol
W	0005839	cellular_component	proteasome core complex
W	0006511	biological_process	ubiquitin-dependent protein catabolic process
W	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
W	0019773	cellular_component	proteasome core complex, alpha-subunit complex
W	0034515	cellular_component	proteasome storage granule
W	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
W	0051603	biological_process	proteolysis involved in protein catabolic process
W	0080129	biological_process	proteasome core complex assembly
X	0000502	cellular_component	proteasome complex
X	0003674	molecular_function	molecular_function
X	0005515	molecular_function	protein binding
X	0005634	cellular_component	nucleus
X	0005737	cellular_component	cytoplasm
X	0005739	cellular_component	mitochondrion
X	0005839	cellular_component	proteasome core complex
X	0006511	biological_process	ubiquitin-dependent protein catabolic process
X	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
X	0019773	cellular_component	proteasome core complex, alpha-subunit complex
X	0034515	cellular_component	proteasome storage granule
X	0042175	cellular_component	nuclear outer membrane-endoplasmic reticulum membrane network
X	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
X	0051603	biological_process	proteolysis involved in protein catabolic process
Y	0005839	cellular_component	proteasome core complex
Y	0006511	biological_process	ubiquitin-dependent protein catabolic process
Y	0019773	cellular_component	proteasome core complex, alpha-subunit complex
Y	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
Y	0051603	biological_process	proteolysis involved in protein catabolic process
Z	0000502	cellular_component	proteasome complex
Z	0003674	molecular_function	molecular_function
Z	0005515	molecular_function	protein binding
Z	0005634	cellular_component	nucleus
Z	0005737	cellular_component	cytoplasm
Z	0005839	cellular_component	proteasome core complex
Z	0006511	biological_process	ubiquitin-dependent protein catabolic process
Z	0010499	biological_process	proteasomal ubiquitin-independent protein catabolic process
Z	0019773	cellular_component	proteasome core complex, alpha-subunit complex
Z	0034515	cellular_component	proteasome storage granule
Z	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
Z	0051603	biological_process	proteolysis involved in protein catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG G 1

Chain	Residue
G	THR13
G	TYR123
G	ARG126
G	MET129
G	HOH248

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG D 2

Chain	Residue
L	SER78
L	HOH206
L	HOH211
D	GLU105
D	HOH253
L	TYR66
L	SER75

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG F 243

Chain	Residue
A	TYR8
F	SER13
F	ASN127
F	HOH244
G	ALA127
G	HOH672

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG H 224

Chain	Residue
H	ILE163
H	ASP166
H	LEU167
H	SER169
H	HOH2265
S	ASP194

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG I 195

Chain	Residue
H	HOH812
I	SER131
I	HOH216
I	HOH771

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG I 196

Chain	Residue
I	ALA163
I	ASP166
I	SER169
I	HOH205
I	HOH209

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG L 195

Chain	Residue
L	THR163
L	HIS166
L	VAL169
L	HOH254
L	HOH2847

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG N 188

Chain	Residue
N	ILE163
N	ASP166
N	SER169
N	HOH554

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG P 195

Chain	Residue
K	ARG19
K	ALA163
K	ASP166
K	ALA167
K	SER169
K	HOH2446
P	ASP194

---

site_id	BC1
Number of Residues	15
Details	BINDING SITE FOR CHAIN 8 OF TMC-95A INHIBITOR

Chain	Residue
8	HOH250
8	HOH652
H	THR1
H	SER20
H	THR21
H	GLN22
H	GLY23
H	ALA27
H	LYS33
H	GLY47
H	ALA49
H	HOH795
I	SER-5
I	ASP114
I	LEU115

---

site_id	BC2
Number of Residues	15
Details	BINDING SITE FOR CHAIN 9 OF TMC-95A INHIBITOR

Chain	Residue
9	HOH2652
O	THR1
O	SER20
O	THR21
O	GLN22
O	GLY23
O	ALA27
O	LYS33
O	GLY47
O	ALA49
O	HOH2250
P	SER-5
P	ASP114
P	LEU115
P	HOH1346

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
2	TYR8-ALA30
B	TYR8-SER30
E	TYR8-ALA30
1	TYR8-ALA30
C	TYR8-ALA30
A	TYR8-ALA30

---

site_id	PS00854
Number of Residues	48
Details	PROTEASOME_BETA_1 Proteasome beta-type subunits signature. VGVkFnnGVVIAADtrstqgpivadknca.KlhrispkiwcagaGtaAD

Chain	Residue	Details
H	VAL4-ASP51
B	ILE38-ASP84
K	LEU4-ASP51
L	LEU4-ASP51
I	VAL4-ASP51
J	LEU4-ASP51
N	MET4-ASP51
M	ILE4-ASP51
C	VAL38-ASP84

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: Nucleophile => ECO:0000269|PubMed:9087403

Chain	Residue	Details
N	THR1
U	THR1
B	LYS199
B	LYS225
W	LYS101
W	LYS199
W	LYS225

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING:

Chain	Residue	Details
K	ALA49
R	ALA49
P	LYS62

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1pma

Chain	Residue	Details
D	GLY80
D	SER35
D	SER167
D	LYS66

---

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1pma

Chain	Residue	Details
Y	GLY80
Y	SER35
Y	SER167
Y	LYS66

---

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 1pma

Chain	Residue	Details
K	GLY47
K	LYS33
K	THR1
K	SER129

---

site_id	CSA4
Number of Residues	4
Details	Annotated By Reference To The Literature 1pma

Chain	Residue	Details
R	GLY47
R	LYS33
R	THR1
R	SER129

---

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1pma

Chain	Residue	Details
H	GLY47
H	LYS33
H	THR1
H	SER129

---

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1pma

Chain	Residue	Details
O	GLY47
O	LYS33
O	THR1
O	SER129

---

site_id	CSA7
Number of Residues	4
Details	Annotated By Reference To The Literature 1pma

Chain	Residue	Details
N	GLY47
N	LYS33
N	THR1
N	SER129

---

site_id	CSA8
Number of Residues	4
Details	Annotated By Reference To The Literature 1pma

Chain	Residue	Details
U	GLY47
U	LYS33
U	THR1
U	SER129

---

site_id	MCSA1
Number of Residues	8
Details	M-CSA 177

Chain	Residue	Details
H	THR1	covalently attached, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor
H	ASP17	activator, steric locator
H	ARG19	activator
H	LYS33	activator, electrostatic stabiliser
H	GLY47	electrostatic stabiliser
H	SER129	activator, electrostatic stabiliser
H	ASP166	activator, steric locator
H	SER169	activator, electrostatic stabiliser

---

site_id	MCSA2
Number of Residues	8
Details	M-CSA 177

Chain	Residue	Details
O	THR1	covalently attached, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor
O	ASP17	activator, steric locator
O	ARG19	activator
O	LYS33	activator, electrostatic stabiliser
O	GLY47	electrostatic stabiliser
O	SER129	activator, electrostatic stabiliser
O	ASP166	activator, steric locator
O	SER169	activator, electrostatic stabiliser

---