2FHH

Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with a peptidyl boronate inhibitor MLN-273

Functional Information from GO Data

Chain	GOid	namespace	contents
1	0000502	cellular_component	proteasome complex
1	0004175	molecular_function	endopeptidase activity
1	0004298	molecular_function	threonine-type endopeptidase activity
1	0005515	molecular_function	protein binding
1	0005737	cellular_component	cytoplasm
1	0005829	cellular_component	cytosol
1	0005839	cellular_component	proteasome core complex
1	0005886	cellular_component	plasma membrane
1	0009274	cellular_component	peptidoglycan-based cell wall
1	0010498	biological_process	proteasomal protein catabolic process
1	0019773	cellular_component	proteasome core complex, alpha-subunit complex
1	0019774	cellular_component	proteasome core complex, beta-subunit complex
1	0019941	biological_process	modification-dependent protein catabolic process
1	0030682	biological_process	symbiont-mediated perturbation of host defenses
1	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
1	0051603	biological_process	proteolysis involved in protein catabolic process
2	0004298	molecular_function	threonine-type endopeptidase activity
2	0005839	cellular_component	proteasome core complex
2	0010498	biological_process	proteasomal protein catabolic process
2	0051603	biological_process	proteolysis involved in protein catabolic process
A	0000502	cellular_component	proteasome complex
A	0004175	molecular_function	endopeptidase activity
A	0004298	molecular_function	threonine-type endopeptidase activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0005839	cellular_component	proteasome core complex
A	0005886	cellular_component	plasma membrane
A	0009274	cellular_component	peptidoglycan-based cell wall
A	0010498	biological_process	proteasomal protein catabolic process
A	0019773	cellular_component	proteasome core complex, alpha-subunit complex
A	0019774	cellular_component	proteasome core complex, beta-subunit complex
A	0019941	biological_process	modification-dependent protein catabolic process
A	0030682	biological_process	symbiont-mediated perturbation of host defenses
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	0004175	molecular_function	endopeptidase activity
B	0004298	molecular_function	threonine-type endopeptidase activity
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0005839	cellular_component	proteasome core complex
B	0005886	cellular_component	plasma membrane
B	0009274	cellular_component	peptidoglycan-based cell wall
B	0010498	biological_process	proteasomal protein catabolic process
B	0019773	cellular_component	proteasome core complex, alpha-subunit complex
B	0019774	cellular_component	proteasome core complex, beta-subunit complex
B	0019941	biological_process	modification-dependent protein catabolic process
B	0030682	biological_process	symbiont-mediated perturbation of host defenses
B	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
B	0051603	biological_process	proteolysis involved in protein catabolic process
C	0004298	molecular_function	threonine-type endopeptidase activity
C	0005839	cellular_component	proteasome core complex
C	0010498	biological_process	proteasomal protein catabolic process
C	0051603	biological_process	proteolysis involved in protein catabolic process
D	0000502	cellular_component	proteasome complex
D	0004175	molecular_function	endopeptidase activity
D	0004298	molecular_function	threonine-type endopeptidase activity
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0005839	cellular_component	proteasome core complex
D	0005886	cellular_component	plasma membrane
D	0009274	cellular_component	peptidoglycan-based cell wall
D	0010498	biological_process	proteasomal protein catabolic process
D	0019773	cellular_component	proteasome core complex, alpha-subunit complex
D	0019774	cellular_component	proteasome core complex, beta-subunit complex
D	0019941	biological_process	modification-dependent protein catabolic process
D	0030682	biological_process	symbiont-mediated perturbation of host defenses
D	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
D	0051603	biological_process	proteolysis involved in protein catabolic process
E	0004298	molecular_function	threonine-type endopeptidase activity
E	0005839	cellular_component	proteasome core complex
E	0010498	biological_process	proteasomal protein catabolic process
E	0051603	biological_process	proteolysis involved in protein catabolic process
F	0000502	cellular_component	proteasome complex
F	0004175	molecular_function	endopeptidase activity
F	0004298	molecular_function	threonine-type endopeptidase activity
F	0005515	molecular_function	protein binding
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0005839	cellular_component	proteasome core complex
F	0005886	cellular_component	plasma membrane
F	0009274	cellular_component	peptidoglycan-based cell wall
F	0010498	biological_process	proteasomal protein catabolic process
F	0019773	cellular_component	proteasome core complex, alpha-subunit complex
F	0019774	cellular_component	proteasome core complex, beta-subunit complex
F	0019941	biological_process	modification-dependent protein catabolic process
F	0030682	biological_process	symbiont-mediated perturbation of host defenses
F	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
F	0051603	biological_process	proteolysis involved in protein catabolic process
G	0004298	molecular_function	threonine-type endopeptidase activity
G	0005839	cellular_component	proteasome core complex
G	0010498	biological_process	proteasomal 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	0010498	biological_process	proteasomal protein catabolic process
H	0051603	biological_process	proteolysis involved in protein catabolic process
I	0000502	cellular_component	proteasome complex
I	0004175	molecular_function	endopeptidase activity
I	0004298	molecular_function	threonine-type endopeptidase activity
I	0005515	molecular_function	protein binding
I	0005737	cellular_component	cytoplasm
I	0005829	cellular_component	cytosol
I	0005839	cellular_component	proteasome core complex
I	0005886	cellular_component	plasma membrane
I	0009274	cellular_component	peptidoglycan-based cell wall
I	0010498	biological_process	proteasomal protein catabolic process
I	0019773	cellular_component	proteasome core complex, alpha-subunit complex
I	0019774	cellular_component	proteasome core complex, beta-subunit complex
I	0019941	biological_process	modification-dependent protein catabolic process
I	0030682	biological_process	symbiont-mediated perturbation of host defenses
I	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
I	0051603	biological_process	proteolysis involved in protein catabolic process
J	0004298	molecular_function	threonine-type endopeptidase activity
J	0005839	cellular_component	proteasome core complex
J	0010498	biological_process	proteasomal protein catabolic process
J	0051603	biological_process	proteolysis involved in protein catabolic process
K	0000502	cellular_component	proteasome complex
K	0004175	molecular_function	endopeptidase activity
K	0004298	molecular_function	threonine-type endopeptidase activity
K	0005515	molecular_function	protein binding
K	0005737	cellular_component	cytoplasm
K	0005829	cellular_component	cytosol
K	0005839	cellular_component	proteasome core complex
K	0005886	cellular_component	plasma membrane
K	0009274	cellular_component	peptidoglycan-based cell wall
K	0010498	biological_process	proteasomal protein catabolic process
K	0019773	cellular_component	proteasome core complex, alpha-subunit complex
K	0019774	cellular_component	proteasome core complex, beta-subunit complex
K	0019941	biological_process	modification-dependent protein catabolic process
K	0030682	biological_process	symbiont-mediated perturbation of host defenses
K	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
K	0051603	biological_process	proteolysis involved in protein catabolic process
L	0004298	molecular_function	threonine-type endopeptidase activity
L	0005839	cellular_component	proteasome core complex
L	0010498	biological_process	proteasomal protein catabolic process
L	0051603	biological_process	proteolysis involved in protein catabolic process
M	0000502	cellular_component	proteasome complex
M	0004175	molecular_function	endopeptidase activity
M	0004298	molecular_function	threonine-type endopeptidase activity
M	0005515	molecular_function	protein binding
M	0005737	cellular_component	cytoplasm
M	0005829	cellular_component	cytosol
M	0005839	cellular_component	proteasome core complex
M	0005886	cellular_component	plasma membrane
M	0009274	cellular_component	peptidoglycan-based cell wall
M	0010498	biological_process	proteasomal protein catabolic process
M	0019773	cellular_component	proteasome core complex, alpha-subunit complex
M	0019774	cellular_component	proteasome core complex, beta-subunit complex
M	0019941	biological_process	modification-dependent protein catabolic process
M	0030682	biological_process	symbiont-mediated perturbation of host defenses
M	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
M	0051603	biological_process	proteolysis involved in protein catabolic process
N	0004298	molecular_function	threonine-type endopeptidase activity
N	0005839	cellular_component	proteasome core complex
N	0010498	biological_process	proteasomal protein catabolic process
N	0051603	biological_process	proteolysis involved in protein catabolic process
O	0000502	cellular_component	proteasome complex
O	0004175	molecular_function	endopeptidase activity
O	0004298	molecular_function	threonine-type endopeptidase activity
O	0005515	molecular_function	protein binding
O	0005737	cellular_component	cytoplasm
O	0005829	cellular_component	cytosol
O	0005839	cellular_component	proteasome core complex
O	0005886	cellular_component	plasma membrane
O	0009274	cellular_component	peptidoglycan-based cell wall
O	0010498	biological_process	proteasomal protein catabolic process
O	0019773	cellular_component	proteasome core complex, alpha-subunit complex
O	0019774	cellular_component	proteasome core complex, beta-subunit complex
O	0019941	biological_process	modification-dependent protein catabolic process
O	0030682	biological_process	symbiont-mediated perturbation of host defenses
O	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
O	0051603	biological_process	proteolysis involved in protein catabolic process
P	0004298	molecular_function	threonine-type endopeptidase activity
P	0005839	cellular_component	proteasome core complex
P	0010498	biological_process	proteasomal protein catabolic process
P	0051603	biological_process	proteolysis involved in protein catabolic process
Q	0000502	cellular_component	proteasome complex
Q	0004175	molecular_function	endopeptidase activity
Q	0004298	molecular_function	threonine-type endopeptidase activity
Q	0005515	molecular_function	protein binding
Q	0005737	cellular_component	cytoplasm
Q	0005829	cellular_component	cytosol
Q	0005839	cellular_component	proteasome core complex
Q	0005886	cellular_component	plasma membrane
Q	0009274	cellular_component	peptidoglycan-based cell wall
Q	0010498	biological_process	proteasomal protein catabolic process
Q	0019773	cellular_component	proteasome core complex, alpha-subunit complex
Q	0019774	cellular_component	proteasome core complex, beta-subunit complex
Q	0019941	biological_process	modification-dependent protein catabolic process
Q	0030682	biological_process	symbiont-mediated perturbation of host defenses
Q	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
Q	0051603	biological_process	proteolysis involved in protein catabolic process
R	0004298	molecular_function	threonine-type endopeptidase activity
R	0005839	cellular_component	proteasome core complex
R	0010498	biological_process	proteasomal protein catabolic process
R	0051603	biological_process	proteolysis involved in protein catabolic process
S	0000502	cellular_component	proteasome complex
S	0004175	molecular_function	endopeptidase activity
S	0004298	molecular_function	threonine-type endopeptidase activity
S	0005515	molecular_function	protein binding
S	0005737	cellular_component	cytoplasm
S	0005829	cellular_component	cytosol
S	0005839	cellular_component	proteasome core complex
S	0005886	cellular_component	plasma membrane
S	0009274	cellular_component	peptidoglycan-based cell wall
S	0010498	biological_process	proteasomal protein catabolic process
S	0019773	cellular_component	proteasome core complex, alpha-subunit complex
S	0019774	cellular_component	proteasome core complex, beta-subunit complex
S	0019941	biological_process	modification-dependent protein catabolic process
S	0030682	biological_process	symbiont-mediated perturbation of host defenses
S	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
S	0051603	biological_process	proteolysis involved in protein catabolic process
T	0004298	molecular_function	threonine-type endopeptidase activity
T	0005839	cellular_component	proteasome core complex
T	0010498	biological_process	proteasomal protein catabolic process
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	0005737	cellular_component	cytoplasm
U	0005829	cellular_component	cytosol
U	0005839	cellular_component	proteasome core complex
U	0005886	cellular_component	plasma membrane
U	0009274	cellular_component	peptidoglycan-based cell wall
U	0010498	biological_process	proteasomal protein catabolic process
U	0019773	cellular_component	proteasome core complex, alpha-subunit complex
U	0019774	cellular_component	proteasome core complex, beta-subunit complex
U	0019941	biological_process	modification-dependent protein catabolic process
U	0030682	biological_process	symbiont-mediated perturbation of host defenses
U	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
U	0051603	biological_process	proteolysis involved in protein catabolic process
V	0004298	molecular_function	threonine-type endopeptidase activity
V	0005839	cellular_component	proteasome core complex
V	0010498	biological_process	proteasomal protein catabolic process
V	0051603	biological_process	proteolysis involved in protein catabolic process
W	0000502	cellular_component	proteasome complex
W	0004175	molecular_function	endopeptidase activity
W	0004298	molecular_function	threonine-type endopeptidase activity
W	0005515	molecular_function	protein binding
W	0005737	cellular_component	cytoplasm
W	0005829	cellular_component	cytosol
W	0005839	cellular_component	proteasome core complex
W	0005886	cellular_component	plasma membrane
W	0009274	cellular_component	peptidoglycan-based cell wall
W	0010498	biological_process	proteasomal protein catabolic process
W	0019773	cellular_component	proteasome core complex, alpha-subunit complex
W	0019774	cellular_component	proteasome core complex, beta-subunit complex
W	0019941	biological_process	modification-dependent protein catabolic process
W	0030682	biological_process	symbiont-mediated perturbation of host defenses
W	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
W	0051603	biological_process	proteolysis involved in protein catabolic process
X	0004298	molecular_function	threonine-type endopeptidase activity
X	0005839	cellular_component	proteasome core complex
X	0010498	biological_process	proteasomal protein catabolic process
X	0051603	biological_process	proteolysis involved in protein catabolic process
Y	0000502	cellular_component	proteasome complex
Y	0004175	molecular_function	endopeptidase activity
Y	0004298	molecular_function	threonine-type endopeptidase activity
Y	0005515	molecular_function	protein binding
Y	0005737	cellular_component	cytoplasm
Y	0005829	cellular_component	cytosol
Y	0005839	cellular_component	proteasome core complex
Y	0005886	cellular_component	plasma membrane
Y	0009274	cellular_component	peptidoglycan-based cell wall
Y	0010498	biological_process	proteasomal protein catabolic process
Y	0019773	cellular_component	proteasome core complex, alpha-subunit complex
Y	0019774	cellular_component	proteasome core complex, beta-subunit complex
Y	0019941	biological_process	modification-dependent protein catabolic process
Y	0030682	biological_process	symbiont-mediated perturbation of host defenses
Y	0043161	biological_process	proteasome-mediated ubiquitin-dependent protein catabolic process
Y	0051603	biological_process	proteolysis involved in protein catabolic process
Z	0004298	molecular_function	threonine-type endopeptidase activity
Z	0005839	cellular_component	proteasome core complex
Z	0010498	biological_process	proteasomal protein catabolic process
Z	0051603	biological_process	proteolysis involved in protein catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE M1N H 273

Chain	Residue
H	THR301
H	ALA349
H	ALA352
H	HOH542
H	HOH550
P	ASP424
H	THR321
H	GLN322
H	SER327
H	VAL331
H	LYS333
H	ALA346
H	GLY347
H	THR348

---

site_id	AC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE M1N C 273

Chain	Residue
C	THR301
C	SER320
C	THR321
C	GLN322
C	SER327
C	ALA346
C	GLY347
C	THR348
C	ALA349
C	ALA352
C	HOH545
H	ASP424

---

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE M1N E 273

Chain	Residue
E	THR301
E	SER320
E	THR321
E	GLN322
E	SER327
E	ALA346
E	GLY347
E	THR348
E	ALA349
E	ALA352
R	ASP424

---

site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE M1N G 273

Chain	Residue
G	HOH153
G	THR301
G	THR321
G	GLN322
G	SER327
G	VAL331
G	ALA346
G	GLY347
G	THR348
G	ALA349
G	ALA352
N	ASP424

---

site_id	AC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE M1N J 273

Chain	Residue
C	ASP424
J	THR301
J	SER320
J	THR321
J	GLN322
J	SER327
J	LYS333
J	ALA346
J	GLY347
J	THR348
J	ALA349
J	ALA352

---

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE M1N L 273

Chain	Residue
E	ASP424
L	THR301
L	SER320
L	THR321
L	GLN322
L	SER327
L	ALA346
L	GLY347
L	THR348
L	ALA349
L	ALA352
L	HOH545

---

site_id	AC7
Number of Residues	13
Details	BINDING SITE FOR RESIDUE M1N N 273

Chain	Residue
L	ASP424
N	THR301
N	SER320
N	THR321
N	GLN322
N	SER327
N	ILE345
N	ALA346
N	GLY347
N	THR348
N	ALA349
N	ALA352
N	HOH543

---

site_id	AC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE M1N P 273

Chain	Residue
P	THR301
P	SER320
P	THR321
P	GLN322
P	SER327
P	LYS333
P	ALA346
P	GLY347
P	THR348
P	ALA349
P	ALA352
V	ASP424

---

site_id	AC9
Number of Residues	12
Details	BINDING SITE FOR RESIDUE M1N R 273

Chain	Residue
R	HOH45
R	THR301
R	SER320
R	THR321
R	GLN322
R	SER327
R	ALA346
R	GLY347
R	ALA349
R	ALA352
Z	ASP424
R	HOH10

---

site_id	BC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE M1N T 273

Chain	Residue
J	ASP424
T	THR301
T	THR321
T	GLN322
T	SER327
T	ALA346
T	GLY347
T	THR348
T	ALA349
T	ALA352

---

site_id	BC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE M1N V 273

Chain	Residue
2	ASP424
V	THR301
V	SER320
V	THR321
V	GLN322
V	SER327
V	VAL331
V	ALA346
V	GLY347
V	THR348
V	ALA349
V	ALA352

---

site_id	BC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE M1N X 273

Chain	Residue
G	ASP424
X	THR301
X	SER320
X	THR321
X	GLN322
X	SER327
X	VAL331
X	ALA346
X	GLY347
X	THR348
X	ALA349
X	ALA352

---

site_id	BC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE M1N Z 273

Chain	Residue
X	ASP424
Z	THR301
Z	SER320
Z	THR321
Z	GLN322
Z	SER327
Z	ILE345
Z	ALA346
Z	GLY347
Z	THR348
Z	ALA349
Z	ALA352

---

site_id	BC5
Number of Residues	16
Details	BINDING SITE FOR RESIDUE M1N 2 273

Chain	Residue
2	THR301
2	ARG319
2	SER320
2	THR321
2	GLN322
2	SER327
2	LYS333
2	ILE345
2	ALA346
2	GLY347
2	THR348
2	ALA349
2	ALA352
2	HOH543
2	HOH546
T	ASP424

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	14
Details	ACT_SITE: Nucleophile => ECO:0000305|PubMed:20711362

Chain	Residue	Details
H	THR301
T	THR301
V	THR301
X	THR301
Z	THR301
2	THR301
C	THR301
E	THR301
G	THR301
J	THR301
L	THR301
N	THR301
P	THR301
R	THR301

---

site_id	SWS_FT_FI2
Number of Residues	14
Details	SITE: Covalent link with the inhibitor MLN-273 => ECO:0000269|PubMed:16468986

Chain	Residue	Details
H	THR301
T	THR301
V	THR301
X	THR301
Z	THR301
2	THR301
I	THR202
K	THR84
K	THR178
K	THR202
M	THR84
C	THR301
M	THR178
M	THR202
O	THR84
O	THR178
O	THR202
Q	THR84
Q	THR178
Q	THR202
S	THR84
S	THR178
E	THR301
S	THR202
U	THR84
U	THR178
U	THR202
W	THR84
W	THR178
W	THR202
Y	THR84
Y	THR178
Y	THR202
G	THR301
1	THR84
1	THR178
1	THR202
J	THR301
L	THR301
N	THR301
P	THR301
R	THR301

---