Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

7O4T

Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme with Coenzyme A bound at the hydratase, thiolase active sites and possible additional binding site (CoA(ECH/HAD))

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003824	molecular_function	catalytic activity
A	0003857	molecular_function	(3S)-3-hydroxyacyl-CoA dehydrogenase (NAD+) activity
A	0004300	molecular_function	enoyl-CoA hydratase activity
A	0005829	cellular_component	cytosol
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	0016042	biological_process	lipid catabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016509	molecular_function	long-chain (3S)-3-hydroxyacyl-CoA dehydrogenase (NAD+) activity
A	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A	0016829	molecular_function	lyase activity
A	0070403	molecular_function	NAD+ binding
B	0000166	molecular_function	nucleotide binding
B	0003824	molecular_function	catalytic activity
B	0003857	molecular_function	(3S)-3-hydroxyacyl-CoA dehydrogenase (NAD+) activity
B	0004300	molecular_function	enoyl-CoA hydratase activity
B	0005829	cellular_component	cytosol
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	0016042	biological_process	lipid catabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0016509	molecular_function	long-chain (3S)-3-hydroxyacyl-CoA dehydrogenase (NAD+) activity
B	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
B	0016829	molecular_function	lyase activity
B	0070403	molecular_function	NAD+ binding
C	0003985	molecular_function	acetyl-CoA C-acetyltransferase activity
C	0005886	cellular_component	plasma membrane
C	0009274	cellular_component	peptidoglycan-based cell wall
C	0016740	molecular_function	transferase activity
C	0016746	molecular_function	acyltransferase activity
C	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
D	0003985	molecular_function	acetyl-CoA C-acetyltransferase activity
D	0005886	cellular_component	plasma membrane
D	0009274	cellular_component	peptidoglycan-based cell wall
D	0016740	molecular_function	transferase activity
D	0016746	molecular_function	acyltransferase activity
D	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	binding site for residue COA A 801

Chain	Residue
A	SER26
A	PRO140
A	GLU141
A	LEU144
A	ARG175
A	GLN308
A	THR27
A	VAL29
A	ALA66
A	GLY68
A	ASP69
A	VAL70
A	LEU114
A	GLY116

site_id	AC2
Number of Residues	13
Details	binding site for residue COA A 802

Chain	Residue
A	VAL142
A	THR143
A	ALA171
A	LEU249
A	GLN252
A	MET258
A	MET299
A	PHE303
A	LYS469
A	PRO471
A	ILE667
A	MET668
A	PRO674

site_id	AC3
Number of Residues	2
Details	binding site for residue GOL A 803

Chain	Residue
A	ASP710
A	ARG711

site_id	AC4
Number of Residues	1
Details	binding site for residue GOL A 804

Chain	Residue
A	GLY230

site_id	AC5
Number of Residues	2
Details	binding site for residue PAP A 805

Chain	Residue
A	GLN629
D	TRP244

site_id	AC6
Number of Residues	5
Details	binding site for residue SO4 A 806

Chain	Residue
A	PRO259
A	GLY293
A	GLN294
A	VAL295
A	HOH936

site_id	AC7
Number of Residues	3
Details	binding site for residue SO4 A 807

Chain	Residue
A	VAL274
A	ASP275
C	HIS24

site_id	AC8
Number of Residues	3
Details	binding site for residue SO4 A 808

Chain	Residue
A	HIS-7
A	HIS-8
A	HIS-6

site_id	AC9
Number of Residues	3
Details	binding site for residue SO4 A 809

Chain	Residue
A	PRO631
A	LEU632
D	HIS243

site_id	AD1
Number of Residues	2
Details	binding site for residue SO4 A 810

Chain	Residue
A	SER658
A	THR659

site_id	AD2
Number of Residues	1
Details	binding site for residue SO4 A 811

Chain	Residue
A	ARG507

site_id	AD3
Number of Residues	14
Details	binding site for residue COA B 801

Chain	Residue
B	SER26
B	THR27
B	VAL29
B	ALA66
B	GLY68
B	ASP69
B	VAL70
B	LYS71
B	LEU114
B	GLY116
B	GLU141
B	LEU144
B	ARG175
B	GLN308

site_id	AD4
Number of Residues	3
Details	binding site for residue GOL B 802

Chain	Residue
A	HIS-6
B	ASP11
B	ALA12

site_id	AD5
Number of Residues	8
Details	binding site for residue COA B 803

Chain	Residue
B	VAL142
B	ALA171
B	MET258
B	PRO261
B	MET299
B	LYS469
B	ILE667
B	MET668

site_id	AD6
Number of Residues	4
Details	binding site for residue PAP B 804

Chain	Residue
B	GLN629
B	HOH901
B	HOH953
C	TRP244

site_id	AD7
Number of Residues	4
Details	binding site for residue SO4 B 805

Chain	Residue
B	GLY293
B	GLN294
B	VAL295
B	HOH950

site_id	AD8
Number of Residues	2
Details	binding site for residue SO4 B 806

Chain	Residue
B	LEU632
C	HIS243

site_id	AD9
Number of Residues	3
Details	binding site for residue SO4 B 807

Chain	Residue
B	VAL274
B	ASP275
D	HIS24

site_id	AE1
Number of Residues	4
Details	binding site for residue SO4 B 808

Chain	Residue
B	THR692
B	GLY693
B	LYS694
B	ALA695

site_id	AE2
Number of Residues	3
Details	binding site for residue SO4 B 809

Chain	Residue
B	HIS-7
B	HIS-6
B	HIS-8

site_id	AE3
Number of Residues	2
Details	binding site for residue SO4 B 810

Chain	Residue
B	SER658
B	THR659

site_id	AE4
Number of Residues	2
Details	binding site for residue SO4 B 811

Chain	Residue
B	PRO220
B	LYS223

site_id	AE5
Number of Residues	1
Details	binding site for residue SO4 B 812

Chain	Residue
B	ARG507

site_id	AE6
Number of Residues	10
Details	binding site for residue COA C 501

Chain	Residue
C	CYS92
C	GLN149
C	ARG210
C	THR213
C	LEU221
C	PHE225
C	GLY254
C	GLY255
C	SER258
C	ALA329

site_id	AE7
Number of Residues	3
Details	binding site for residue SO4 C 502

Chain	Residue
C	SER163
C	ARG164
C	ASN249

site_id	AE8
Number of Residues	3
Details	binding site for residue SO4 C 503

Chain	Residue
C	ASN380
C	ARG382
C	ARG402

site_id	AE9
Number of Residues	2
Details	binding site for residue SO4 C 504

Chain	Residue
C	ARG195
C	LEU201

site_id	AF1
Number of Residues	1
Details	binding site for residue SO4 C 505

Chain	Residue
C	ARG195

site_id	AF2
Number of Residues	4
Details	binding site for residue SO4 C 506

Chain	Residue
C	THR317
C	VAL318
C	HOH615
C	HOH616

site_id	AF3
Number of Residues	4
Details	binding site for residue SO4 C 507

Chain	Residue
C	THR317
C	ASP319
C	ARG382
C	HOH615

site_id	AF4
Number of Residues	2
Details	binding site for residue SO4 C 508

Chain	Residue
C	TYR186
C	ARG378

site_id	AF5
Number of Residues	13
Details	binding site for residue COA D 501

Chain	Residue
D	LYS19
D	CYS92
D	MET127
D	GLN149
D	ARG210
D	THR213
D	LEU218
D	LEU221
D	PHE225
D	GLY254
D	GLY255
D	SER258
D	ALA329

site_id	AF6
Number of Residues	3
Details	binding site for residue SO4 D 502

Chain	Residue
D	SER163
D	ARG164
D	ASN249

site_id	AF7
Number of Residues	2
Details	binding site for residue SO4 D 503

Chain	Residue
D	ARG382
D	ARG382

site_id	AF8
Number of Residues	3
Details	binding site for residue SO4 D 504

Chain	Residue
D	ARG382
D	ARG383
D	ARG402

site_id	AF9
Number of Residues	2
Details	binding site for residue SO4 D 505

Chain	Residue
D	ARG195
D	LEU201

site_id	AG1
Number of Residues	2
Details	binding site for residue SO4 D 506

Chain	Residue
D	PRO193
D	ARG195

site_id	AG2
Number of Residues	1
Details	binding site for residue SO4 D 507

Chain	Residue
D	ARG378

Functional Information from PROSITE/UniProt

site_id	PS00098
Number of Residues	19
Details	THIOLASE_1 Thiolases acyl-enzyme intermediate signature. LNRfCASGLeAVntaaqkV

Chain	Residue	Details
C	LEU88-VAL106

site_id	PS00099
Number of Residues	14
Details	THIOLASE_3 Thiolases active site. ALITLCIGgGmGvA

Chain	Residue	Details
C	ALA384-ALA397

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

Chain	Residue	Details
C	ASN349-GLY365

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI10
Number of Residues	2
Details	Active site: {"description":"Acyl-thioester intermediate","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU10020","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	4
Details	Cross-link: {"description":"Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)","evidences":[{"source":"PubMed","id":"20066036","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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