Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4UBU

Structure of a modified C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with CoA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003988	molecular_function	acetyl-CoA C-acyltransferase activity
A	0006635	biological_process	fatty acid beta-oxidation
A	0006707	biological_process	cholesterol catabolic process
A	0008203	biological_process	cholesterol metabolic process
A	0010124	biological_process	phenylacetate catabolic process
A	0016042	biological_process	lipid catabolic process
A	0016746	molecular_function	acyltransferase activity
A	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
A	0042802	molecular_function	identical protein binding
B	0003988	molecular_function	acetyl-CoA C-acyltransferase activity
B	0006635	biological_process	fatty acid beta-oxidation
B	0006707	biological_process	cholesterol catabolic process
B	0008203	biological_process	cholesterol metabolic process
B	0010124	biological_process	phenylacetate catabolic process
B	0016042	biological_process	lipid catabolic process
B	0016746	molecular_function	acyltransferase activity
B	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
B	0042802	molecular_function	identical protein binding
C	0003988	molecular_function	acetyl-CoA C-acyltransferase activity
C	0006635	biological_process	fatty acid beta-oxidation
C	0006707	biological_process	cholesterol catabolic process
C	0008203	biological_process	cholesterol metabolic process
C	0010124	biological_process	phenylacetate catabolic process
C	0016042	biological_process	lipid catabolic process
C	0016746	molecular_function	acyltransferase activity
C	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
C	0042802	molecular_function	identical protein binding
D	0003988	molecular_function	acetyl-CoA C-acyltransferase activity
D	0006635	biological_process	fatty acid beta-oxidation
D	0006707	biological_process	cholesterol catabolic process
D	0008203	biological_process	cholesterol metabolic process
D	0010124	biological_process	phenylacetate catabolic process
D	0016042	biological_process	lipid catabolic process
D	0016746	molecular_function	acyltransferase activity
D	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
D	0042802	molecular_function	identical protein binding
E	0003988	molecular_function	acetyl-CoA C-acyltransferase activity
E	0006635	biological_process	fatty acid beta-oxidation
E	0006707	biological_process	cholesterol catabolic process
E	0008203	biological_process	cholesterol metabolic process
E	0010124	biological_process	phenylacetate catabolic process
E	0016042	biological_process	lipid catabolic process
E	0016746	molecular_function	acyltransferase activity
E	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
E	0042802	molecular_function	identical protein binding
F	0003988	molecular_function	acetyl-CoA C-acyltransferase activity
F	0006635	biological_process	fatty acid beta-oxidation
F	0006707	biological_process	cholesterol catabolic process
F	0008203	biological_process	cholesterol metabolic process
F	0010124	biological_process	phenylacetate catabolic process
F	0016042	biological_process	lipid catabolic process
F	0016746	molecular_function	acyltransferase activity
F	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
F	0042802	molecular_function	identical protein binding
G	0003988	molecular_function	acetyl-CoA C-acyltransferase activity
G	0006635	biological_process	fatty acid beta-oxidation
G	0006707	biological_process	cholesterol catabolic process
G	0008203	biological_process	cholesterol metabolic process
G	0010124	biological_process	phenylacetate catabolic process
G	0016042	biological_process	lipid catabolic process
G	0016746	molecular_function	acyltransferase activity
G	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
G	0042802	molecular_function	identical protein binding
H	0003988	molecular_function	acetyl-CoA C-acyltransferase activity
H	0006635	biological_process	fatty acid beta-oxidation
H	0006707	biological_process	cholesterol catabolic process
H	0008203	biological_process	cholesterol metabolic process
H	0010124	biological_process	phenylacetate catabolic process
H	0016042	biological_process	lipid catabolic process
H	0016746	molecular_function	acyltransferase activity
H	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
H	0042802	molecular_function	identical protein binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	binding site for residue COA A 400

Chain	Residue
A	OAS93
A	ALA242
A	SER246
A	ILE248
A	LEU128
A	GLN151
A	PHE152
A	ARG221
A	THR223
A	THR224
A	LEU231
A	VAL234

site_id	AC2
Number of Residues	13
Details	binding site for residue COA B 400

Chain	Residue
B	OAS93
B	LEU128
B	GLN151
B	PHE152
B	ARG221
B	GLU222
B	THR223
B	THR224
B	LEU231
B	VAL234
B	ALA242
B	SER246
B	ILE248

site_id	AC3
Number of Residues	11
Details	binding site for residue COA C 400

Chain	Residue
C	OAS93
C	LEU128
C	GLN151
C	PHE152
C	ARG221
C	GLU222
C	LEU231
C	VAL234
C	ALA242
C	SER246
C	ILE248

site_id	AC4
Number of Residues	11
Details	binding site for residue COA D 400

Chain	Residue
D	OAS93
D	GLN151
D	PHE152
D	ARG221
D	THR223
D	THR224
D	LEU231
D	VAL234
D	ALA242
D	SER246
D	ILE248

site_id	AC5
Number of Residues	12
Details	binding site for residue COA E 401

Chain	Residue
E	OAS93
E	LEU128
E	GLN151
E	PHE152
E	ARG221
E	GLU222
E	THR223
E	THR224
E	LEU231
E	VAL234
E	ALA242
E	SER246

site_id	AC6
Number of Residues	8
Details	binding site for residue GOL E 402

Chain	Residue
A	TRP184
A	ALA185
A	ASP190
A	ARG216
E	GLN181
E	TRP184
E	ALA185
E	ARG216

site_id	AC7
Number of Residues	10
Details	binding site for residue COA F 400

Chain	Residue
F	OAS93
F	GLN151
F	PHE152
F	ARG221
F	GLU222
F	THR224
F	GLY227
F	LEU231
F	ALA242
F	SER246

site_id	AC8
Number of Residues	13
Details	binding site for residue COA G 401

Chain	Residue
G	OAS93
G	LEU128
G	GLN151
G	PHE152
G	ARG221
G	THR223
G	THR224
G	GLY227
G	LEU231
G	VAL234
G	ALA242
G	SER246
G	ILE248

site_id	AC9
Number of Residues	2
Details	binding site for residue GOL G 402

Chain	Residue
G	TRP20
G	GLN218

site_id	AD1
Number of Residues	5
Details	binding site for residue GOL G 403

Chain	Residue
G	GLU156
G	LYS160
G	GLU236
G	GLY237
G	GLY238

site_id	AD2
Number of Residues	13
Details	binding site for residue COA H 401

Chain	Residue
H	GLN151
H	PHE152
H	ARG221
H	GLU222
H	THR223
H	THR224
H	LEU231
H	VAL234
H	ALA242
H	SER246
H	ILE248
H	OAS93
H	LEU128

site_id	AD3
Number of Residues	6
Details	binding site for residue GOL H 402

Chain	Residue
H	TYR3
H	GLU260
H	ARG273
H	GLU389
H	ARG390
H	ILE391

Functional Information from PROSITE/UniProt

site_id	PS00737
Number of Residues	17
Details	THIOLASE_2 Thiolases signature 2. NvnGGaIAlGHPvGcTG

Chain	Residue	Details
A	ASN337-GLY353

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Acyl-thioester intermediate => ECO:0000305\|PubMed:25482540, ECO:0007744\|PDB:4UBV

Chain	Residue	Details
A	OAS93
B	OAS93
C	OAS93
D	OAS93
E	OAS93
F	OAS93
G	OAS93
H	OAS93

site_id	SWS_FT_FI2
Number of Residues	8
Details	ACT_SITE: Proton acceptor => ECO:0000305\|PubMed:25482540, ECO:0007744\|PDB:4UBV

Chain	Residue	Details
A	HIS347
B	HIS347
C	HIS347
D	HIS347
E	HIS347
F	HIS347
G	HIS347
H	HIS347

site_id	SWS_FT_FI3
Number of Residues	8
Details	ACT_SITE: Proton acceptor => ECO:0000305\|PubMed:25482540

Chain	Residue	Details
A	CYS377
B	CYS377
C	CYS377
D	CYS377
E	CYS377
F	CYS377
G	CYS377
H	CYS377

site_id	SWS_FT_FI4
Number of Residues	16
Details	BINDING: BINDING => ECO:0000269\|PubMed:25482540, ECO:0007744\|PDB:4UBT

Chain	Residue	Details
A	GLN151
E	GLY379
F	GLN151
F	GLY379
G	GLN151
G	GLY379
H	GLN151
H	GLY379
A	GLY379
B	GLN151
B	GLY379
C	GLN151
C	GLY379
D	GLN151
D	GLY379
E	GLN151

site_id	SWS_FT_FI5
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269\|PubMed:25482540, ECO:0007744\|PDB:4UBT, ECO:0007744\|PDB:4UBV

Chain	Residue	Details
A	ARG221
B	ARG221
C	ARG221
D	ARG221
E	ARG221
F	ARG221
G	ARG221
H	ARG221

site_id	SWS_FT_FI6
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269\|PubMed:25482540, ECO:0007744\|PDB:4UBT, ECO:0007744\|PDB:4UBU, ECO:0007744\|PDB:4UBV

Chain	Residue	Details
A	SER246
B	SER246
C	SER246
D	SER246
E	SER246
F	SER246
G	SER246
H	SER246

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)