3Q0J

Crystal Structure of the Mycobacterium tuberculosis Crotonase in complex with the Inhibitor AcetoacetylCoA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004300	molecular_function	enoyl-CoA hydratase activity
A	0005886	cellular_component	plasma membrane
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006635	biological_process	fatty acid beta-oxidation
A	0009274	cellular_component	peptidoglycan-based cell wall
A	0016829	molecular_function	lyase activity
A	0016836	molecular_function	hydro-lyase activity
A	0018812	molecular_function	3-hydroxyacyl-CoA dehydratase activity
B	0003824	molecular_function	catalytic activity
B	0004300	molecular_function	enoyl-CoA hydratase activity
B	0005886	cellular_component	plasma membrane
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006635	biological_process	fatty acid beta-oxidation
B	0009274	cellular_component	peptidoglycan-based cell wall
B	0016829	molecular_function	lyase activity
B	0016836	molecular_function	hydro-lyase activity
B	0018812	molecular_function	3-hydroxyacyl-CoA dehydratase activity
C	0003824	molecular_function	catalytic activity
C	0004300	molecular_function	enoyl-CoA hydratase activity
C	0005886	cellular_component	plasma membrane
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006635	biological_process	fatty acid beta-oxidation
C	0009274	cellular_component	peptidoglycan-based cell wall
C	0016829	molecular_function	lyase activity
C	0016836	molecular_function	hydro-lyase activity
C	0018812	molecular_function	3-hydroxyacyl-CoA dehydratase activity
D	0003824	molecular_function	catalytic activity
D	0004300	molecular_function	enoyl-CoA hydratase activity
D	0005886	cellular_component	plasma membrane
D	0006629	biological_process	lipid metabolic process
D	0006631	biological_process	fatty acid metabolic process
D	0006635	biological_process	fatty acid beta-oxidation
D	0009274	cellular_component	peptidoglycan-based cell wall
D	0016829	molecular_function	lyase activity
D	0016836	molecular_function	hydro-lyase activity
D	0018812	molecular_function	3-hydroxyacyl-CoA dehydratase activity
E	0003824	molecular_function	catalytic activity
E	0004300	molecular_function	enoyl-CoA hydratase activity
E	0005886	cellular_component	plasma membrane
E	0006629	biological_process	lipid metabolic process
E	0006631	biological_process	fatty acid metabolic process
E	0006635	biological_process	fatty acid beta-oxidation
E	0009274	cellular_component	peptidoglycan-based cell wall
E	0016829	molecular_function	lyase activity
E	0016836	molecular_function	hydro-lyase activity
E	0018812	molecular_function	3-hydroxyacyl-CoA dehydratase activity
F	0003824	molecular_function	catalytic activity
F	0004300	molecular_function	enoyl-CoA hydratase activity
F	0005886	cellular_component	plasma membrane
F	0006629	biological_process	lipid metabolic process
F	0006631	biological_process	fatty acid metabolic process
F	0006635	biological_process	fatty acid beta-oxidation
F	0009274	cellular_component	peptidoglycan-based cell wall
F	0016829	molecular_function	lyase activity
F	0016836	molecular_function	hydro-lyase activity
F	0018812	molecular_function	3-hydroxyacyl-CoA dehydratase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE CAA C 300

Chain	Residue
A	LYS249
C	ILE67
C	LYS68
C	PHE84
C	GLY107
C	GLY108
C	GLU111
C	PRO130
C	GLU131
C	LEU134
C	PRO138
C	GLN23
C	GLY139
C	MET140
C	HOH713
C	HOH792
C	HOH793
C	HOH794
C	ALA24
C	LEU25
C	ALA27
C	ALA63
C	GLY64
C	ALA65
C	ASP66

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site_id	AC2
Number of Residues	25
Details	BINDING SITE FOR RESIDUE CAA F 300

Chain	Residue
D	PHE246
D	LYS249
F	GLN23
F	ALA24
F	LEU25
F	ALA27
F	ALA63
F	GLY64
F	ALA65
F	ASP66
F	ILE67
F	LYS68
F	PHE84
F	GLY107
F	GLY108
F	GLU111
F	PRO130
F	GLU131
F	PRO138
F	GLY139
F	MET140
F	HOH269
F	HOH613
F	HOH750
F	HOH803

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Functional Information from PROSITE/UniProt

site_id	PS00166
Number of Residues	21
Details	ENOYL_COA_HYDRATASE Enoyl-CoA hydratase/isomerase signature. IAaVAGyalGGGcelaMmCDV

Chain	Residue	Details
A	ILE98-VAL118

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