6WNK

Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome

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	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	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	0016787	molecular_function	hydrolase activity
A	0019773	cellular_component	proteasome core complex, alpha-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	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	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	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	0016787	molecular_function	hydrolase activity
B	0019773	cellular_component	proteasome core complex, alpha-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	0000502	cellular_component	proteasome complex
C	0004175	molecular_function	endopeptidase activity
C	0004298	molecular_function	threonine-type endopeptidase activity
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005839	cellular_component	proteasome core complex
C	0005886	cellular_component	plasma membrane
C	0009274	cellular_component	peptidoglycan-based cell wall
C	0010498	biological_process	proteasomal protein catabolic process
C	0016787	molecular_function	hydrolase activity
C	0019773	cellular_component	proteasome core complex, alpha-subunit complex
C	0019941	biological_process	modification-dependent protein catabolic process
C	0030682	biological_process	symbiont-mediated perturbation of host defenses
C	0043161	biological_process	proteasome-mediated ubiquitin-dependent 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	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	0016787	molecular_function	hydrolase activity
D	0019773	cellular_component	proteasome core complex, alpha-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	0000502	cellular_component	proteasome complex
E	0004175	molecular_function	endopeptidase activity
E	0004298	molecular_function	threonine-type endopeptidase activity
E	0005515	molecular_function	protein binding
E	0005737	cellular_component	cytoplasm
E	0005839	cellular_component	proteasome core complex
E	0005886	cellular_component	plasma membrane
E	0009274	cellular_component	peptidoglycan-based cell wall
E	0010498	biological_process	proteasomal protein catabolic process
E	0016787	molecular_function	hydrolase activity
E	0019773	cellular_component	proteasome core complex, alpha-subunit complex
E	0019941	biological_process	modification-dependent protein catabolic process
E	0030682	biological_process	symbiont-mediated perturbation of host defenses
E	0043161	biological_process	proteasome-mediated ubiquitin-dependent 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	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	0016787	molecular_function	hydrolase activity
F	0019773	cellular_component	proteasome core complex, alpha-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	0000502	cellular_component	proteasome complex
G	0004175	molecular_function	endopeptidase activity
G	0004298	molecular_function	threonine-type endopeptidase activity
G	0005515	molecular_function	protein binding
G	0005737	cellular_component	cytoplasm
G	0005839	cellular_component	proteasome core complex
G	0005886	cellular_component	plasma membrane
G	0009274	cellular_component	peptidoglycan-based cell wall
G	0010498	biological_process	proteasomal protein catabolic process
G	0016787	molecular_function	hydrolase activity
G	0019773	cellular_component	proteasome core complex, alpha-subunit complex
G	0019941	biological_process	modification-dependent protein catabolic process
G	0030682	biological_process	symbiont-mediated perturbation of host defenses
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	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	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	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	0016787	molecular_function	hydrolase activity
O	0019773	cellular_component	proteasome core complex, alpha-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	0000502	cellular_component	proteasome complex
P	0004175	molecular_function	endopeptidase activity
P	0004298	molecular_function	threonine-type endopeptidase activity
P	0005515	molecular_function	protein binding
P	0005737	cellular_component	cytoplasm
P	0005839	cellular_component	proteasome core complex
P	0005886	cellular_component	plasma membrane
P	0009274	cellular_component	peptidoglycan-based cell wall
P	0010498	biological_process	proteasomal protein catabolic process
P	0016787	molecular_function	hydrolase activity
P	0019773	cellular_component	proteasome core complex, alpha-subunit complex
P	0019941	biological_process	modification-dependent protein catabolic process
P	0030682	biological_process	symbiont-mediated perturbation of host defenses
P	0043161	biological_process	proteasome-mediated ubiquitin-dependent 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	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	0016787	molecular_function	hydrolase activity
Q	0019773	cellular_component	proteasome core complex, alpha-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	0000502	cellular_component	proteasome complex
R	0004175	molecular_function	endopeptidase activity
R	0004298	molecular_function	threonine-type endopeptidase activity
R	0005515	molecular_function	protein binding
R	0005737	cellular_component	cytoplasm
R	0005839	cellular_component	proteasome core complex
R	0005886	cellular_component	plasma membrane
R	0009274	cellular_component	peptidoglycan-based cell wall
R	0010498	biological_process	proteasomal protein catabolic process
R	0016787	molecular_function	hydrolase activity
R	0019773	cellular_component	proteasome core complex, alpha-subunit complex
R	0019941	biological_process	modification-dependent protein catabolic process
R	0030682	biological_process	symbiont-mediated perturbation of host defenses
R	0043161	biological_process	proteasome-mediated ubiquitin-dependent 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	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	0016787	molecular_function	hydrolase activity
S	0019773	cellular_component	proteasome core complex, alpha-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	0000502	cellular_component	proteasome complex
T	0004175	molecular_function	endopeptidase activity
T	0004298	molecular_function	threonine-type endopeptidase activity
T	0005515	molecular_function	protein binding
T	0005737	cellular_component	cytoplasm
T	0005839	cellular_component	proteasome core complex
T	0005886	cellular_component	plasma membrane
T	0009274	cellular_component	peptidoglycan-based cell wall
T	0010498	biological_process	proteasomal protein catabolic process
T	0016787	molecular_function	hydrolase activity
T	0019773	cellular_component	proteasome core complex, alpha-subunit complex
T	0019941	biological_process	modification-dependent protein catabolic process
T	0030682	biological_process	symbiont-mediated perturbation of host defenses
T	0043161	biological_process	proteasome-mediated ubiquitin-dependent 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	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	0016787	molecular_function	hydrolase activity
U	0019773	cellular_component	proteasome core complex, alpha-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	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	19
Details	binding site for residue U5Y H 301

Chain	Residue
H	THR1
H	ALA49
H	ALA52
H	CIT302
H	HOH431
H	HOH450
I	SER122
I	ASP124
I	GLY128
I	TRP129
I	HOH440
H	SER20
H	THR21
H	GLN22
H	SER27
H	VAL31
H	ILE45
H	GLY47
H	THR48

---

site_id	AC2
Number of Residues	6
Details	binding site for residue CIT H 302

Chain	Residue
H	THR1
H	ALA46
H	GLY47
H	GLY140
H	SER141
H	U5Y301

---

site_id	AC3
Number of Residues	17
Details	binding site for residue U5Y I 301

Chain	Residue
I	THR1
I	SER20
I	THR21
I	GLN22
I	SER27
I	VAL31
I	ILE45
I	GLY47
I	THR48
I	ALA49
I	ALA52
I	CIT302
I	HOH435
J	ASP124
J	GLY128
J	TRP129
J	ASN130

---

site_id	AC4
Number of Residues	6
Details	binding site for residue CIT I 302

Chain	Residue
I	THR1
I	GLY47
I	SER141
I	ALA180
I	U5Y301
I	HOH478

---

site_id	AC5
Number of Residues	17
Details	binding site for residue U5Y J 301

Chain	Residue
J	THR1
J	SER20
J	THR21
J	GLN22
J	SER27
J	VAL31
J	ILE45
J	GLY47
J	THR48
J	ALA49
J	ALA52
J	CIT302
K	ASP124
K	GLY128
K	TRP129
K	ASN130
K	HOH419

---

site_id	AC6
Number of Residues	6
Details	binding site for residue CIT J 302

Chain	Residue
J	THR1
J	ALA46
J	GLY47
J	GLY140
J	SER141
J	U5Y301

---

site_id	AC7
Number of Residues	19
Details	binding site for residue U5Y K 301

Chain	Residue
K	THR1
K	SER20
K	THR21
K	GLN22
K	SER27
K	VAL31
K	ILE45
K	GLY47
K	THR48
K	ALA49
K	ALA52
K	CIT302
K	HOH431
L	SER122
L	PHE123
L	ASP124
L	GLY128
L	TRP129
L	HOH406

---

site_id	AC8
Number of Residues	5
Details	binding site for residue CIT K 302

Chain	Residue
K	THR1
K	GLY47
K	GLY140
K	SER141
K	U5Y301

---

site_id	AC9
Number of Residues	17
Details	binding site for residue U5Y L 301

Chain	Residue
L	SER27
L	VAL31
L	LYS33
L	ILE45
L	GLY47
L	THR48
L	ALA49
L	ALA52
L	CIT302
M	SER122
M	ASP124
M	TRP129
M	ASN130
L	THR1
L	SER20
L	THR21
L	GLN22

---

site_id	AD1
Number of Residues	6
Details	binding site for residue CIT L 302

Chain	Residue
L	THR1
L	ALA46
L	GLY47
L	SER141
L	U5Y301
b	ASN24

---

site_id	AD2
Number of Residues	17
Details	binding site for residue U5Y M 301

Chain	Residue
M	THR1
M	SER20
M	THR21
M	GLN22
M	SER27
M	VAL31
M	ILE45
M	GLY47
M	THR48
M	ALA49
M	ALA52
M	CIT302
N	SER122
N	ASP124
N	TRP129
N	ASN130
N	HOH422

---

site_id	AD3
Number of Residues	7
Details	binding site for residue CIT M 302

Chain	Residue
M	THR1
M	ALA46
M	GLY47
M	SER141
M	ALA180
M	U5Y301
a	ASN24

---

site_id	AD4
Number of Residues	19
Details	binding site for residue U5Y N 301

Chain	Residue
H	SER122
H	ASP124
H	GLY128
H	TRP129
H	ASN130
H	HOH425
N	THR1
N	SER20
N	THR21
N	GLN22
N	SER27
N	VAL31
N	ILE45
N	GLY47
N	THR48
N	ALA49
N	ALA52
N	CIT302
N	HOH435

---

site_id	AD5
Number of Residues	7
Details	binding site for residue CIT N 302

Chain	Residue
N	THR1
N	ALA46
N	GLY47
N	LEU101
N	SER141
N	U5Y301
Z	ASN24

---

site_id	AD6
Number of Residues	2
Details	binding site for residue DMF O 301

Chain	Residue
O	GLY77
O	THR106

---

site_id	AD7
Number of Residues	4
Details	binding site for residue DMF P 301

Chain	Residue
P	GLY77
P	VAL102
P	TYR103
P	THR106

---

site_id	AD8
Number of Residues	4
Details	binding site for residue DMF Q 301

Chain	Residue
Q	GLY77
Q	GLY78
Q	TYR103
Q	THR106

---

site_id	AD9
Number of Residues	6
Details	binding site for residue DMF R 301

Chain	Residue
R	TYR35
R	ALA36
R	GLY38
R	ALA128
R	LYS134
R	ALA215

---

site_id	AE1
Number of Residues	8
Details	binding site for residue DMF R 302

Chain	Residue
Q	ARG97
Q	ASN101
R	LEU50
R	GLN51
R	PHE68
R	ARG75
R	ARG76
Y	LEU69

---

site_id	AE2
Number of Residues	2
Details	binding site for residue DMF S 301

Chain	Residue
S	GLY77
S	THR106

---

site_id	AE3
Number of Residues	18
Details	binding site for residue U5Y V 301

Chain	Residue
V	THR1
V	ARG19
V	SER20
V	THR21
V	GLN22
V	SER27
V	VAL31
V	ILE45
V	GLY47
V	THR48
V	ALA49
V	ALA52
V	CIT302
W	SER122
W	ASP124
W	TRP129
W	ASN130
W	HOH424

---

site_id	AE4
Number of Residues	8
Details	binding site for residue CIT V 302

Chain	Residue
K	ASN24
V	THR1
V	THR21
V	ALA46
V	GLY47
V	SER141
V	ALA180
V	U5Y301

---

site_id	AE5
Number of Residues	4
Details	binding site for residue DMF W 301

Chain	Residue
O	ASP90
V	ARG57
W	ALA77
W	TRP129

---

site_id	AE6
Number of Residues	20
Details	binding site for residue U5Y W 302

Chain	Residue
W	THR1
W	SER20
W	THR21
W	GLN22
W	SER27
W	VAL31
W	ILE45
W	GLY47
W	THR48
W	ALA49
W	ALA52
W	CIT303
W	HOH442
W	HOH458
X	SER122
X	ASP124
X	GLY128
X	TRP129
X	ASN130
X	HOH434

---

site_id	AE7
Number of Residues	6
Details	binding site for residue CIT W 303

Chain	Residue
W	THR1
W	ALA46
W	GLY47
W	GLY140
W	SER141
W	U5Y302

---

site_id	AE8
Number of Residues	3
Details	binding site for residue DMF X 301

Chain	Residue
X	THR21
X	GLY23
X	U5Y302

---

site_id	AE9
Number of Residues	23
Details	binding site for residue U5Y X 302

Chain	Residue
X	THR1
X	SER20
X	THR21
X	GLN22
X	SER27
X	VAL31
X	LYS33
X	ILE45
X	GLY47
X	THR48
X	ALA49
X	ALA52
X	DMF301
X	CIT303
X	HOH407
X	HOH478
X	HOH482
Y	SER122
Y	ASP124
Y	GLY128
Y	TRP129
Y	ASN130
Y	HOH416

---

site_id	AF1
Number of Residues	7
Details	binding site for residue CIT X 303

Chain	Residue
X	THR1
X	ALA46
X	GLY47
X	GLY140
X	SER141
X	U5Y302
X	HOH482

---

site_id	AF2
Number of Residues	17
Details	binding site for residue U5Y Y 301

Chain	Residue
Y	THR1
Y	SER20
Y	THR21
Y	GLN22
Y	SER27
Y	VAL31
Y	ILE45
Y	GLY47
Y	THR48
Y	ALA49
Y	ALA52
Y	CIT302
Y	HOH456
Z	SER122
Z	ASP124
Z	TRP129
Z	HOH1223

---

site_id	AF3
Number of Residues	5
Details	binding site for residue CIT Y 302

Chain	Residue
H	ASN24
Y	THR1
Y	GLY47
Y	SER141
Y	U5Y301

---

site_id	AF4
Number of Residues	18
Details	binding site for residue U5Y Z 301

Chain	Residue
Z	THR1
Z	SER20
Z	THR21
Z	GLN22
Z	SER27
Z	VAL31
Z	ILE45
Z	GLY47
Z	THR48
Z	ALA49
Z	ALA52
Z	CIT302
Z	HOH1227
a	SER122
a	ASP124
a	GLY128
a	TRP129
a	ASN130

---

site_id	AF5
Number of Residues	6
Details	binding site for residue CIT Z 302

Chain	Residue
Z	THR1
Z	ALA46
Z	GLY47
Z	GLY140
Z	SER141
Z	U5Y301

---

site_id	AF6
Number of Residues	17
Details	binding site for residue U5Y a 301

Chain	Residue
a	THR1
a	SER20
a	THR21
a	GLN22
a	SER27
a	VAL31
a	LYS33
a	ILE45
a	GLY47
a	THR48
a	ALA49
a	CIT302
a	HOH413
a	HOH415
b	ASP124
b	GLY128
b	TRP129

---

site_id	AF7
Number of Residues	6
Details	binding site for residue CIT a 302

Chain	Residue
a	THR1
a	ALA46
a	GLY47
a	GLY140
a	SER141
a	U5Y301

---

site_id	AF8
Number of Residues	18
Details	binding site for residue U5Y b 301

Chain	Residue
V	SER122
V	ASP124
V	GLY128
V	TRP129
V	HOH407
b	THR1
b	SER20
b	THR21
b	GLN22
b	SER27
b	VAL31
b	ILE45
b	GLY47
b	THR48
b	ALA49
b	ALA52
b	CIT302
b	HOH439

---

site_id	AF9
Number of Residues	6
Details	binding site for residue CIT b 302

Chain	Residue
L	ASN24
b	THR1
b	GLY47
b	GLY140
b	SER141
b	U5Y301

---

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	THR1
X	THR1
Y	THR1
Z	THR1
a	THR1
b	THR1
E	THR202
F	THR84
F	THR178
F	THR202
G	THR84
I	THR1
G	THR178
G	THR202
O	THR84
O	THR178
O	THR202
P	THR84
P	THR178
P	THR202
Q	THR84
Q	THR178
J	THR1
Q	THR202
R	THR84
R	THR178
R	THR202
S	THR84
S	THR178
S	THR202
T	THR84
T	THR178
T	THR202
K	THR1
U	THR84
U	THR178
U	THR202
L	THR1
M	THR1
N	THR1
V	THR1
W	THR1

---

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	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

---