6IW7

structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004176	molecular_function	ATP-dependent peptidase activity
A	0004252	molecular_function	serine-type endopeptidase activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0006508	biological_process	proteolysis
A	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
A	0008236	molecular_function	serine-type peptidase activity
A	0009274	cellular_component	peptidoglycan-based cell wall
A	0009368	cellular_component	endopeptidase Clp complex
A	0051117	molecular_function	ATPase binding
B	0004176	molecular_function	ATP-dependent peptidase activity
B	0004252	molecular_function	serine-type endopeptidase activity
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0005886	cellular_component	plasma membrane
B	0006508	biological_process	proteolysis
B	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
B	0008236	molecular_function	serine-type peptidase activity
B	0009368	cellular_component	endopeptidase Clp complex
B	0051117	molecular_function	ATPase binding
C	0004176	molecular_function	ATP-dependent peptidase activity
C	0004252	molecular_function	serine-type endopeptidase activity
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0005886	cellular_component	plasma membrane
C	0006508	biological_process	proteolysis
C	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
C	0008236	molecular_function	serine-type peptidase activity
C	0009274	cellular_component	peptidoglycan-based cell wall
C	0009368	cellular_component	endopeptidase Clp complex
C	0051117	molecular_function	ATPase binding
D	0004176	molecular_function	ATP-dependent peptidase activity
D	0004252	molecular_function	serine-type endopeptidase activity
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0005886	cellular_component	plasma membrane
D	0006508	biological_process	proteolysis
D	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
D	0008236	molecular_function	serine-type peptidase activity
D	0009368	cellular_component	endopeptidase Clp complex
D	0051117	molecular_function	ATPase binding
E	0004176	molecular_function	ATP-dependent peptidase activity
E	0004252	molecular_function	serine-type endopeptidase activity
E	0005515	molecular_function	protein binding
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0005886	cellular_component	plasma membrane
E	0006508	biological_process	proteolysis
E	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
E	0008236	molecular_function	serine-type peptidase activity
E	0009274	cellular_component	peptidoglycan-based cell wall
E	0009368	cellular_component	endopeptidase Clp complex
E	0051117	molecular_function	ATPase binding
F	0004176	molecular_function	ATP-dependent peptidase activity
F	0004252	molecular_function	serine-type endopeptidase activity
F	0005515	molecular_function	protein binding
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0005886	cellular_component	plasma membrane
F	0006508	biological_process	proteolysis
F	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
F	0008236	molecular_function	serine-type peptidase activity
F	0009274	cellular_component	peptidoglycan-based cell wall
F	0009368	cellular_component	endopeptidase Clp complex
F	0051117	molecular_function	ATPase binding
G	0004176	molecular_function	ATP-dependent peptidase activity
G	0004252	molecular_function	serine-type endopeptidase activity
G	0005737	cellular_component	cytoplasm
G	0005829	cellular_component	cytosol
G	0005886	cellular_component	plasma membrane
G	0006508	biological_process	proteolysis
G	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
G	0008236	molecular_function	serine-type peptidase activity
G	0009368	cellular_component	endopeptidase Clp complex
G	0051117	molecular_function	ATPase binding
H	0004176	molecular_function	ATP-dependent peptidase activity
H	0004252	molecular_function	serine-type endopeptidase activity
H	0005515	molecular_function	protein binding
H	0005737	cellular_component	cytoplasm
H	0005829	cellular_component	cytosol
H	0005886	cellular_component	plasma membrane
H	0006508	biological_process	proteolysis
H	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
H	0008236	molecular_function	serine-type peptidase activity
H	0009274	cellular_component	peptidoglycan-based cell wall
H	0009368	cellular_component	endopeptidase Clp complex
H	0051117	molecular_function	ATPase binding
I	0004176	molecular_function	ATP-dependent peptidase activity
I	0004252	molecular_function	serine-type endopeptidase activity
I	0005737	cellular_component	cytoplasm
I	0005829	cellular_component	cytosol
I	0005886	cellular_component	plasma membrane
I	0006508	biological_process	proteolysis
I	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
I	0008236	molecular_function	serine-type peptidase activity
I	0009368	cellular_component	endopeptidase Clp complex
I	0051117	molecular_function	ATPase binding
J	0004176	molecular_function	ATP-dependent peptidase activity
J	0004252	molecular_function	serine-type endopeptidase activity
J	0005515	molecular_function	protein binding
J	0005737	cellular_component	cytoplasm
J	0005829	cellular_component	cytosol
J	0005886	cellular_component	plasma membrane
J	0006508	biological_process	proteolysis
J	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
J	0008236	molecular_function	serine-type peptidase activity
J	0009274	cellular_component	peptidoglycan-based cell wall
J	0009368	cellular_component	endopeptidase Clp complex
J	0051117	molecular_function	ATPase binding
K	0004176	molecular_function	ATP-dependent peptidase activity
K	0004252	molecular_function	serine-type endopeptidase activity
K	0005737	cellular_component	cytoplasm
K	0005829	cellular_component	cytosol
K	0005886	cellular_component	plasma membrane
K	0006508	biological_process	proteolysis
K	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
K	0008236	molecular_function	serine-type peptidase activity
K	0009368	cellular_component	endopeptidase Clp complex
K	0051117	molecular_function	ATPase binding
L	0004176	molecular_function	ATP-dependent peptidase activity
L	0004252	molecular_function	serine-type endopeptidase activity
L	0005515	molecular_function	protein binding
L	0005737	cellular_component	cytoplasm
L	0005829	cellular_component	cytosol
L	0005886	cellular_component	plasma membrane
L	0006508	biological_process	proteolysis
L	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
L	0008236	molecular_function	serine-type peptidase activity
L	0009274	cellular_component	peptidoglycan-based cell wall
L	0009368	cellular_component	endopeptidase Clp complex
L	0051117	molecular_function	ATPase binding
M	0004176	molecular_function	ATP-dependent peptidase activity
M	0004252	molecular_function	serine-type endopeptidase activity
M	0005737	cellular_component	cytoplasm
M	0005829	cellular_component	cytosol
M	0005886	cellular_component	plasma membrane
M	0006508	biological_process	proteolysis
M	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
M	0008236	molecular_function	serine-type peptidase activity
M	0009368	cellular_component	endopeptidase Clp complex
M	0051117	molecular_function	ATPase binding
N	0004176	molecular_function	ATP-dependent peptidase activity
N	0004252	molecular_function	serine-type endopeptidase activity
N	0005737	cellular_component	cytoplasm
N	0005829	cellular_component	cytosol
N	0005886	cellular_component	plasma membrane
N	0006508	biological_process	proteolysis
N	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
N	0008236	molecular_function	serine-type peptidase activity
N	0009368	cellular_component	endopeptidase Clp complex
N	0051117	molecular_function	ATPase binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	binding site for residue AV3 B 301

Chain	Residue
B	GLY94
K	ILE146
K	GLU149
B	MET95
B	HIS117
B	ARG119
B	TRP174
K	SER70
K	ILE71
K	SER72
K	MET75

---

site_id	AC2
Number of Residues	9
Details	binding site for residue AV3 B 302

Chain	Residue
B	SER70
B	SER72
B	MET75
B	ILE146
B	GLU149
M	GLY94
M	HIS117
M	ARG119
M	TRP174

---

site_id	AC3
Number of Residues	10
Details	binding site for residue AV3 D 301

Chain	Residue
D	GLY94
D	MET95
D	HIS117
D	ARG119
D	TRP174
M	SER70
M	SER72
M	MET75
M	ILE146
M	GLU149

---

site_id	AC4
Number of Residues	10
Details	binding site for residue AV3 I 301

Chain	Residue
D	SER70
D	ILE71
D	SER72
D	MET75
D	ILE146
D	GLU149
I	GLY94
I	HIS117
I	ARG119
I	TRP174

---

site_id	AC5
Number of Residues	11
Details	binding site for residue AV3 K 301

Chain	Residue
K	GLY94
K	MET95
K	HIS117
K	ARG119
K	TRP174
N	SER70
N	ILE71
N	SER72
N	MET75
N	ILE146
N	GLU149

---

site_id	AC6
Number of Residues	11
Details	binding site for residue AV3 N 301

Chain	Residue
G	SER70
G	ILE71
G	SER72
G	MET75
G	ILE146
G	GLU149
N	GLY94
N	MET95
N	HIS117
N	ARG119
N	TRP174

---

site_id	AC7
Number of Residues	11
Details	binding site for residue AV3 G 301

Chain	Residue
G	GLY94
G	MET95
G	HIS117
G	ARG119
G	TRP174
I	SER70
I	ILE71
I	SER72
I	MET75
I	ILE146
I	GLU149

---

site_id	AC8
Number of Residues	7
Details	binding site for Di-peptide BEZ O 1 and LEU O 2

Chain	Residue
B	AV3301
J	PHE147
K	GLY69
K	SER70
K	ILE71
K	PRO125
K	LEU126

---

site_id	AC9
Number of Residues	8
Details	binding site for Di-peptide BEZ P 1 and LEU P 2

Chain	Residue
J	GLY81
J	GLY82
J	PHE83
J	LEU86
J	ALA111
J	HIS135
J	PRO137
J	SER138

---

site_id	AD1
Number of Residues	6
Details	binding site for Di-peptide BEZ Q 1 and LEU Q 2

Chain	Residue
B	GLY69
B	ILE71
B	PRO125
B	LEU126
B	ILE146
B	AV3302

---

site_id	AD2
Number of Residues	8
Details	binding site for Di-peptide BEZ R 1 and LEU R 2

Chain	Residue
A	HIS135
A	PRO137
A	SER138
A	GLY81
A	GLY82
A	PHE83
A	SER110
A	ALA111

---

site_id	AD3
Number of Residues	5
Details	binding site for Di-peptide BEZ T 1 and LEU T 2

Chain	Residue
D	AV3301
M	GLY69
M	ILE71
M	PRO125
M	LEU126

---

site_id	AD4
Number of Residues	6
Details	binding site for Di-peptide BEZ U 1 and LEU U 2

Chain	Residue
F	GLY81
F	GLY82
F	PHE83
F	HIS135
F	PRO137
F	SER138

---

site_id	AD5
Number of Residues	7
Details	binding site for Di-peptide BEZ V 1 and LEU V 2

Chain	Residue
C	PHE147
D	GLY69
D	ILE71
D	PRO125
D	LEU126
D	ILE146
I	AV3301

---

site_id	AD6
Number of Residues	8
Details	binding site for Di-peptide BEZ W 1 and LEU W 2

Chain	Residue
C	GLY81
C	GLY82
C	PHE83
C	ALA111
C	HIS135
C	PRO137
C	SER138
C	MET164

---

site_id	AD7
Number of Residues	6
Details	binding site for Di-peptide BEZ X 1 and LEU X 2

Chain	Residue
G	AV3301
I	GLY69
I	SER70
I	ILE71
I	PRO125
I	LEU126

---

site_id	AD8
Number of Residues	8
Details	binding site for Di-peptide BEZ Z 1 and LEU Z 2

Chain	Residue
H	GLY81
H	GLY82
H	PHE83
H	LEU86
H	HIS135
H	PRO137
H	SER138
H	MET164

---

site_id	AD9
Number of Residues	8
Details	binding site for Di-peptide BEZ a 1 and LEU a 2

Chain	Residue
E	PHE147
G	GLY69
G	ILE71
G	PRO125
G	LEU126
G	PHE143
G	ILE146
N	AV3301

---

site_id	AE1
Number of Residues	6
Details	binding site for Di-peptide BEZ b 1 and LEU b 2

Chain	Residue
E	GLY81
E	GLY82
E	PHE83
E	SER110
E	HIS135
E	SER138

---

site_id	AE2
Number of Residues	7
Details	binding site for Di-peptide BEZ d 1 and LEU d 2

Chain	Residue
K	AV3301
N	GLY69
N	SER70
N	ILE71
N	PRO125
N	LEU126
N	ILE146

---

site_id	AE3
Number of Residues	8
Details	binding site for Di-peptide BEZ e 1 and LEU e 2

Chain	Residue
L	GLY81
L	GLY82
L	PHE83
L	LEU86
L	HIS135
L	PRO137
L	SER138
L	MET164

---

Functional Information from PROSITE/UniProt

site_id	PS00381
Number of Residues	12
Details	CLP_PROTEASE_SER Endopeptidase Clp serine active site. TvcLGqAASAAA

Chain	Residue	Details
A	THR102-ALA113

---

site_id	PS00382
Number of Residues	14
Details	CLP_PROTEASE_HIS Endopeptidase Clp histidine active site. RyalPharILMHQP

Chain	Residue	Details
B	ARG112-PRO125
A	ARG124-PRO137

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	7
Details	ACT_SITE: Nucleophile => ECO:0000255|HAMAP-Rule:MF_00444

Chain	Residue	Details
B	SER98
D	SER98
I	SER98
K	SER98
M	SER98
N	SER98
G	SER98

---

site_id	SWS_FT_FI2
Number of Residues	7
Details	ACT_SITE: ACT_SITE => ECO:0000255|HAMAP-Rule:MF_00444

Chain	Residue	Details
B	HIS123
D	HIS123
I	HIS123
K	HIS123
M	HIS123
N	HIS123
G	HIS123

---