Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4B3H

Crystal structure of Mycobacterium tuberculosis fatty acid beta- oxidation complex

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	6
Details	BINDING SITE FOR RESIDUE SO4 A 1721

Chain	Residue
A	GLY293
A	GLN294
A	VAL295
A	HOH2176
A	HOH2179
A	HOH2314

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1722

Chain	Residue
C	HIS24
A	VAL274
A	ASP275
A	HOH2163

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 1723

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

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1724

Chain	Residue
A	ARG598
A	GLY610
A	ARG612
A	HOH2327

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1725

Chain	Residue
A	PRO631
A	LEU632
A	HOH2298
D	HIS243

site_id	AC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 A 1726

Chain	Residue
A	ARG327

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 1727

Chain	Residue
A	SER658
A	THR659
A	HOH2305

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 1728

Chain	Residue
A	ASP710
A	ARG711
A	HOH2328

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 1729

Chain	Residue
A	GLU119
A	GLU141
A	GLY149
A	GLY150

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 1730

Chain	Residue
A	SER512
A	GLY516
A	MET560
A	ILE563
A	HOH2329

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 1731

Chain	Residue
A	SER441
A	PHE464
A	THR511
A	LEU555

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 1721

Chain	Residue
B	PRO259
B	GLY293
B	GLN294
B	VAL295
B	HOH2191

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1722

Chain	Residue
B	VAL274
B	ASP275
D	HIS24

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 1723

Chain	Residue
B	PRO631
B	LEU632
B	HOH2316
C	HIS243

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1724

Chain	Residue
B	ARG327
B	LYS403
B	HOH2349

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 1725

Chain	Residue
B	ARG598
B	ARG612

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 1726

Chain	Residue
A	LYS365
A	ILE393
A	PRO395
B	LYS600
B	HOH2350
B	HOH2351

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1727

Chain	Residue
B	GLY693
B	LYS694
B	ALA695

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1728

Chain	Residue
B	SER658
B	THR659
B	HOH2330

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1729

Chain	Residue
B	PRO220
B	LYS223
B	HOH2149

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 1730

Chain	Residue
B	GLY68
B	ASP69
B	GLU119
B	GLU141

site_id	CC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 1731

Chain	Residue
B	SER441
B	HIS462
B	PHE464
B	SER512
B	ILE515
B	LEU555
B	ILE670
B	HOH2273
B	HOH2274

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL B 1732

Chain	Residue
A	HIS-6
B	ASP11
B	ALA12

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 C 1404

Chain	Residue
C	THR317
C	ASP319
C	ARG382
C	HOH2196
C	HOH2200
C	HOH2201

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 1405

Chain	Residue
C	SER163
C	ARG164
C	ASN249
C	VAL251

site_id	CC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 1406

Chain	Residue
C	ARG195
C	HOH2125

site_id	CC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 1407

Chain	Residue
C	PRO193
C	ARG195
C	HOH2118

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 1408

Chain	Residue
C	HIS43
C	PRO44
C	ASP45
C	LEU46

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 1409

Chain	Residue
C	ARG173
C	LYS177
C	ASP345
C	GLU346

site_id	DC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 1410

Chain	Residue
C	ARG382
C	ARG402

site_id	DC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 1411

Chain	Residue
B	LYS251
C	GLY233
C	PHE234
C	ASP235
C	ASP236

site_id	DC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 1412

Chain	Residue
C	LEU39
C	ARG40
C	HIS43
C	LEU46
C	GLU48
C	MET268

site_id	DC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 1404

Chain	Residue
D	ARG382
D	ARG383
D	ARG402
D	SO41409

site_id	DC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 1405

Chain	Residue
D	ARG195
D	LEU201
D	HOH2089

site_id	DC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 1406

Chain	Residue
D	PRO193
D	ARG195
D	HOH2081

site_id	DC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 1407

Chain	Residue
D	SER163
D	ARG164
D	ASN249
D	VAL251
D	HOH2067

site_id	EC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 1408

Chain	Residue
D	ARG42
D	HIS43
D	PRO44
D	ASP45
D	GLN278

site_id	EC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 1409

Chain	Residue
D	ARG382
D	ARG382
D	SO41404
D	HOH2142

site_id	EC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 1410

Chain	Residue
D	LEU39
D	HIS43
D	GLU48
D	LEU115
D	MET268

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)