5THO

Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with N,C-capped Dipeptide Inhibitor PKS2205

Functional Information from GO Data

Chain	GOid	namespace	contents
a	0004298	molecular_function	threonine-type endopeptidase activity
a	0005839	cellular_component	proteasome core complex
a	0010498	biological_process	proteasomal protein catabolic process
a	0051603	biological_process	proteolysis involved in protein catabolic process
A	0000502	cellular_component	proteasome complex
A	0003824	molecular_function	catalytic activity
A	0004298	molecular_function	threonine-type endopeptidase activity
A	0005737	cellular_component	cytoplasm
A	0005839	cellular_component	proteasome core complex
A	0010498	biological_process	proteasomal protein catabolic process
A	0019773	cellular_component	proteasome core complex, alpha-subunit complex
A	0019941	biological_process	modification-dependent protein catabolic process
A	0051603	biological_process	proteolysis involved in protein catabolic process
b	0004298	molecular_function	threonine-type endopeptidase activity
b	0005839	cellular_component	proteasome core complex
b	0010498	biological_process	proteasomal protein catabolic process
b	0051603	biological_process	proteolysis involved in protein catabolic process
B	0000502	cellular_component	proteasome complex
B	0003824	molecular_function	catalytic activity
B	0004298	molecular_function	threonine-type endopeptidase activity
B	0005737	cellular_component	cytoplasm
B	0005839	cellular_component	proteasome core complex
B	0010498	biological_process	proteasomal protein catabolic process
B	0019773	cellular_component	proteasome core complex, alpha-subunit complex
B	0019941	biological_process	modification-dependent protein catabolic process
B	0051603	biological_process	proteolysis involved in protein catabolic process
C	0000502	cellular_component	proteasome complex
C	0003824	molecular_function	catalytic activity
C	0004298	molecular_function	threonine-type endopeptidase activity
C	0005737	cellular_component	cytoplasm
C	0005839	cellular_component	proteasome core complex
C	0010498	biological_process	proteasomal protein catabolic process
C	0019773	cellular_component	proteasome core complex, alpha-subunit complex
C	0019941	biological_process	modification-dependent protein catabolic process
C	0051603	biological_process	proteolysis involved in protein catabolic process
D	0000502	cellular_component	proteasome complex
D	0003824	molecular_function	catalytic activity
D	0004298	molecular_function	threonine-type endopeptidase activity
D	0005737	cellular_component	cytoplasm
D	0005839	cellular_component	proteasome core complex
D	0010498	biological_process	proteasomal protein catabolic process
D	0019773	cellular_component	proteasome core complex, alpha-subunit complex
D	0019941	biological_process	modification-dependent protein catabolic process
D	0051603	biological_process	proteolysis involved in protein catabolic process
E	0000502	cellular_component	proteasome complex
E	0003824	molecular_function	catalytic activity
E	0004298	molecular_function	threonine-type endopeptidase activity
E	0005737	cellular_component	cytoplasm
E	0005839	cellular_component	proteasome core complex
E	0010498	biological_process	proteasomal protein catabolic process
E	0019773	cellular_component	proteasome core complex, alpha-subunit complex
E	0019941	biological_process	modification-dependent protein catabolic process
E	0051603	biological_process	proteolysis involved in protein catabolic process
F	0000502	cellular_component	proteasome complex
F	0003824	molecular_function	catalytic activity
F	0004298	molecular_function	threonine-type endopeptidase activity
F	0005737	cellular_component	cytoplasm
F	0005839	cellular_component	proteasome core complex
F	0010498	biological_process	proteasomal protein catabolic process
F	0019773	cellular_component	proteasome core complex, alpha-subunit complex
F	0019941	biological_process	modification-dependent protein catabolic process
F	0051603	biological_process	proteolysis involved in protein catabolic process
G	0000502	cellular_component	proteasome complex
G	0003824	molecular_function	catalytic activity
G	0004298	molecular_function	threonine-type endopeptidase activity
G	0005737	cellular_component	cytoplasm
G	0005839	cellular_component	proteasome core complex
G	0010498	biological_process	proteasomal protein catabolic process
G	0019773	cellular_component	proteasome core complex, alpha-subunit complex
G	0019941	biological_process	modification-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	0010498	biological_process	proteasomal protein catabolic process
H	0051603	biological_process	proteolysis involved in protein catabolic process
I	0004298	molecular_function	threonine-type endopeptidase activity
I	0005839	cellular_component	proteasome core complex
I	0010498	biological_process	proteasomal 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	0004298	molecular_function	threonine-type endopeptidase activity
K	0005839	cellular_component	proteasome core complex
K	0010498	biological_process	proteasomal 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	0004298	molecular_function	threonine-type endopeptidase activity
M	0005839	cellular_component	proteasome core complex
M	0010498	biological_process	proteasomal 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	0003824	molecular_function	catalytic activity
O	0004298	molecular_function	threonine-type endopeptidase activity
O	0005737	cellular_component	cytoplasm
O	0005839	cellular_component	proteasome core complex
O	0010498	biological_process	proteasomal protein catabolic process
O	0019773	cellular_component	proteasome core complex, alpha-subunit complex
O	0019941	biological_process	modification-dependent protein catabolic process
O	0051603	biological_process	proteolysis involved in protein catabolic process
P	0000502	cellular_component	proteasome complex
P	0003824	molecular_function	catalytic activity
P	0004298	molecular_function	threonine-type endopeptidase activity
P	0005737	cellular_component	cytoplasm
P	0005839	cellular_component	proteasome core complex
P	0010498	biological_process	proteasomal protein catabolic process
P	0019773	cellular_component	proteasome core complex, alpha-subunit complex
P	0019941	biological_process	modification-dependent protein catabolic process
P	0051603	biological_process	proteolysis involved in protein catabolic process
Q	0000502	cellular_component	proteasome complex
Q	0003824	molecular_function	catalytic activity
Q	0004298	molecular_function	threonine-type endopeptidase activity
Q	0005737	cellular_component	cytoplasm
Q	0005839	cellular_component	proteasome core complex
Q	0010498	biological_process	proteasomal protein catabolic process
Q	0019773	cellular_component	proteasome core complex, alpha-subunit complex
Q	0019941	biological_process	modification-dependent protein catabolic process
Q	0051603	biological_process	proteolysis involved in protein catabolic process
R	0000502	cellular_component	proteasome complex
R	0003824	molecular_function	catalytic activity
R	0004298	molecular_function	threonine-type endopeptidase activity
R	0005737	cellular_component	cytoplasm
R	0005839	cellular_component	proteasome core complex
R	0010498	biological_process	proteasomal protein catabolic process
R	0019773	cellular_component	proteasome core complex, alpha-subunit complex
R	0019941	biological_process	modification-dependent protein catabolic process
R	0051603	biological_process	proteolysis involved in protein catabolic process
S	0000502	cellular_component	proteasome complex
S	0003824	molecular_function	catalytic activity
S	0004298	molecular_function	threonine-type endopeptidase activity
S	0005737	cellular_component	cytoplasm
S	0005839	cellular_component	proteasome core complex
S	0010498	biological_process	proteasomal protein catabolic process
S	0019773	cellular_component	proteasome core complex, alpha-subunit complex
S	0019941	biological_process	modification-dependent protein catabolic process
S	0051603	biological_process	proteolysis involved in protein catabolic process
T	0000502	cellular_component	proteasome complex
T	0003824	molecular_function	catalytic activity
T	0004298	molecular_function	threonine-type endopeptidase activity
T	0005737	cellular_component	cytoplasm
T	0005839	cellular_component	proteasome core complex
T	0010498	biological_process	proteasomal protein catabolic process
T	0019773	cellular_component	proteasome core complex, alpha-subunit complex
T	0019941	biological_process	modification-dependent protein catabolic process
T	0051603	biological_process	proteolysis involved in protein catabolic process
U	0000502	cellular_component	proteasome complex
U	0003824	molecular_function	catalytic activity
U	0004298	molecular_function	threonine-type endopeptidase activity
U	0005737	cellular_component	cytoplasm
U	0005839	cellular_component	proteasome core complex
U	0010498	biological_process	proteasomal protein catabolic process
U	0019773	cellular_component	proteasome core complex, alpha-subunit complex
U	0019941	biological_process	modification-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	0004298	molecular_function	threonine-type endopeptidase activity
W	0005839	cellular_component	proteasome core complex
W	0010498	biological_process	proteasomal 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	0004298	molecular_function	threonine-type endopeptidase activity
Y	0005839	cellular_component	proteasome core complex
Y	0010498	biological_process	proteasomal 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	18
Details	binding site for residue 7C7 H 301

Chain	Residue
H	THR1
H	ALA49
I	LEU91
I	MET95
I	PHE123
I	ASP124
I	ALA126
I	GLY128
I	TRP129
I	HOH411
H	SER20
H	THR21
H	GLN22
H	SER27
H	VAL31
H	LYS33
H	ILE45
H	GLY47

---

site_id	AC2
Number of Residues	20
Details	binding site for residue 7C7 I 301

Chain	Residue
I	THR1
I	SER20
I	THR21
I	GLN22
I	SER27
I	VAL31
I	LYS33
I	ILE45
I	GLY47
I	THR48
I	ALA49
I	ALA52
I	HOH414
J	LEU91
J	MET95
J	SER122
J	PHE123
J	ASP124
J	ALA126
J	TRP129

---

site_id	AC3
Number of Residues	18
Details	binding site for residue 7C7 J 301

Chain	Residue
J	THR1
J	SER20
J	THR21
J	GLN22
J	SER27
J	VAL31
J	LYS33
J	ILE45
J	GLY47
J	ALA49
J	ALA52
K	LEU91
K	MET95
K	PHE123
K	ASP124
K	ALA126
K	TRP129
K	HOH403

---

site_id	AC4
Number of Residues	20
Details	binding site for residue 7C7 K 301

Chain	Residue
K	THR1
K	SER20
K	THR21
K	GLN22
K	SER27
K	VAL31
K	LYS33
K	ILE45
K	GLY47
K	THR48
K	ALA49
K	HOH404
L	LEU91
L	MET95
L	SER122
L	PHE123
L	ASP124
L	ALA126
L	GLY128
L	TRP129

---

site_id	AC5
Number of Residues	18
Details	binding site for residue 7C7 L 301

Chain	Residue
L	THR1
L	SER20
L	THR21
L	GLN22
L	SER27
L	VAL31
L	ARG32
L	LYS33
L	ILE45
L	GLY47
L	THR48
L	ALA49
M	LEU91
M	MET95
M	SER122
M	PHE123
M	ASP124
M	TRP129

---

site_id	AC6
Number of Residues	17
Details	binding site for residue 7C7 M 301

Chain	Residue
M	VAL31
M	LYS33
M	ILE45
M	GLY47
M	ALA49
M	ALA52
N	SER122
N	PHE123
N	ASP124
N	ALA126
N	TRP129
N	HOH401
M	THR1
M	SER20
M	THR21
M	GLN22
M	SER27

---

site_id	AC7
Number of Residues	20
Details	binding site for residue 7C7 N 301

Chain	Residue
H	LEU91
H	MET95
H	SER122
H	PHE123
H	ASP124
H	ALA125
H	ALA126
H	TRP129
H	ASN130
H	HOH404
N	THR1
N	SER20
N	THR21
N	GLN22
N	SER27
N	VAL31
N	LYS33
N	ILE45
N	GLY47
N	ALA49

---

site_id	AC8
Number of Residues	20
Details	binding site for residue 7C7 V 301

Chain	Residue
V	THR1
V	SER20
V	THR21
V	GLN22
V	SER27
V	VAL31
V	ILE45
V	GLY47
V	THR48
V	ALA49
V	ALA52
V	HOH402
W	LEU91
W	MET95
W	SER122
W	PHE123
W	ASP124
W	ALA126
W	GLY128
W	TRP129

---

site_id	AC9
Number of Residues	20
Details	binding site for residue 7C7 W 301

Chain	Residue
W	THR1
W	SER20
W	THR21
W	GLN22
W	SER27
W	VAL31
W	ARG32
W	LYS33
W	ILE45
W	GLY47
W	ALA49
W	ALA52
W	HOH406
X	LEU91
X	SER122
X	PHE123
X	ASP124
X	ALA125
X	ALA126
X	TRP129

---

site_id	AD1
Number of Residues	17
Details	binding site for residue 7C7 X 301

Chain	Residue
X	THR1
X	SER20
X	THR21
X	GLN22
X	SER27
X	VAL31
X	LYS33
X	ILE45
X	GLY47
X	ALA49
Y	MET95
Y	PHE123
Y	ASP124
Y	ALA125
Y	ALA126
Y	TRP129
Y	HOH402

---

site_id	AD2
Number of Residues	18
Details	binding site for residue 7C7 Y 301

Chain	Residue
Y	THR1
Y	SER20
Y	THR21
Y	GLN22
Y	SER27
Y	VAL31
Y	LYS33
Y	ILE45
Y	GLY47
Y	ALA49
Y	ALA52
Z	LEU91
Z	PHE123
Z	ASP124
Z	ALA125
Z	ALA126
Z	GLY128
Z	TRP129

---

site_id	AD3
Number of Residues	19
Details	binding site for residue 7C7 Z 301

Chain	Residue
Z	THR1
Z	SER20
Z	THR21
Z	GLN22
Z	SER27
Z	VAL31
Z	ARG32
Z	LYS33
Z	ILE45
Z	GLY47
Z	ALA49
Z	ALA52
a	LEU91
a	MET95
a	PHE123
a	ASP124
a	ALA126
a	GLY128
a	TRP129

---

site_id	AD4
Number of Residues	18
Details	binding site for residue 7C7 a 301

Chain	Residue
a	THR1
a	SER20
a	THR21
a	GLN22
a	SER27
a	VAL31
a	LYS33
a	ILE45
a	GLY47
a	ALA49
a	ALA52
b	MET95
b	PHE123
b	ASP124
b	ALA126
b	GLY128
b	TRP129
b	HOH407

---

site_id	AD5
Number of Residues	17
Details	binding site for residue 7C7 b 301

Chain	Residue
V	LEU91
V	PHE123
V	ASP124
V	ALA126
V	GLY128
V	TRP129
b	THR1
b	SER20
b	THR21
b	GLN22
b	SER27
b	VAL31
b	LYS33
b	ILE45
b	GLY47
b	THR48
b	ALA49

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	14
Details	ACT_SITE: Nucleophile => ECO:0000255|HAMAP-Rule:MF_02113

Chain	Residue	Details
H	THR1
X	THR1
Y	THR1
Z	THR1
a	THR1
b	THR1
I	THR1
J	THR1
K	THR1
L	THR1
M	THR1
N	THR1
V	THR1
W	THR1

---