Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2WGG

Crystal Structure of Mycobacterium tuberculosis C171Q KasA variant with bound TLM

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
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	0006633	biological_process	fatty acid biosynthetic process
A	0009274	cellular_component	peptidoglycan-based cell wall
A	0016740	molecular_function	transferase activity
A	0016746	molecular_function	acyltransferase activity
A	0019367	biological_process	fatty acid elongation, saturated fatty acid
A	0030497	biological_process	fatty acid elongation
A	0042802	molecular_function	identical protein binding
B	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
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	0006633	biological_process	fatty acid biosynthetic process
B	0009274	cellular_component	peptidoglycan-based cell wall
B	0016740	molecular_function	transferase activity
B	0016746	molecular_function	acyltransferase activity
B	0019367	biological_process	fatty acid elongation, saturated fatty acid
B	0030497	biological_process	fatty acid elongation
B	0042802	molecular_function	identical protein binding
C	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0005886	cellular_component	plasma membrane
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006633	biological_process	fatty acid biosynthetic process
C	0009274	cellular_component	peptidoglycan-based cell wall
C	0016740	molecular_function	transferase activity
C	0016746	molecular_function	acyltransferase activity
C	0019367	biological_process	fatty acid elongation, saturated fatty acid
C	0030497	biological_process	fatty acid elongation
C	0042802	molecular_function	identical protein binding
D	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0005886	cellular_component	plasma membrane
D	0006629	biological_process	lipid metabolic process
D	0006631	biological_process	fatty acid metabolic process
D	0006633	biological_process	fatty acid biosynthetic process
D	0009274	cellular_component	peptidoglycan-based cell wall
D	0016740	molecular_function	transferase activity
D	0016746	molecular_function	acyltransferase activity
D	0019367	biological_process	fatty acid elongation, saturated fatty acid
D	0030497	biological_process	fatty acid elongation
D	0042802	molecular_function	identical protein binding
E	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
E	0005515	molecular_function	protein binding
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0005886	cellular_component	plasma membrane
E	0006629	biological_process	lipid metabolic process
E	0006631	biological_process	fatty acid metabolic process
E	0006633	biological_process	fatty acid biosynthetic process
E	0009274	cellular_component	peptidoglycan-based cell wall
E	0016740	molecular_function	transferase activity
E	0016746	molecular_function	acyltransferase activity
E	0019367	biological_process	fatty acid elongation, saturated fatty acid
E	0030497	biological_process	fatty acid elongation
E	0042802	molecular_function	identical protein binding
F	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
F	0005515	molecular_function	protein binding
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0005886	cellular_component	plasma membrane
F	0006629	biological_process	lipid metabolic process
F	0006631	biological_process	fatty acid metabolic process
F	0006633	biological_process	fatty acid biosynthetic process
F	0009274	cellular_component	peptidoglycan-based cell wall
F	0016740	molecular_function	transferase activity
F	0016746	molecular_function	acyltransferase activity
F	0019367	biological_process	fatty acid elongation, saturated fatty acid
F	0030497	biological_process	fatty acid elongation
F	0042802	molecular_function	identical protein binding
G	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
G	0005515	molecular_function	protein binding
G	0005737	cellular_component	cytoplasm
G	0005829	cellular_component	cytosol
G	0005886	cellular_component	plasma membrane
G	0006629	biological_process	lipid metabolic process
G	0006631	biological_process	fatty acid metabolic process
G	0006633	biological_process	fatty acid biosynthetic process
G	0009274	cellular_component	peptidoglycan-based cell wall
G	0016740	molecular_function	transferase activity
G	0016746	molecular_function	acyltransferase activity
G	0019367	biological_process	fatty acid elongation, saturated fatty acid
G	0030497	biological_process	fatty acid elongation
G	0042802	molecular_function	identical protein binding
H	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
H	0005515	molecular_function	protein binding
H	0005737	cellular_component	cytoplasm
H	0005829	cellular_component	cytosol
H	0005886	cellular_component	plasma membrane
H	0006629	biological_process	lipid metabolic process
H	0006631	biological_process	fatty acid metabolic process
H	0006633	biological_process	fatty acid biosynthetic process
H	0009274	cellular_component	peptidoglycan-based cell wall
H	0016740	molecular_function	transferase activity
H	0016746	molecular_function	acyltransferase activity
H	0019367	biological_process	fatty acid elongation, saturated fatty acid
H	0030497	biological_process	fatty acid elongation
H	0042802	molecular_function	identical protein binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TLM A 1417

Chain	Residue
A	GLN171
A	PHE404
A	HOH2132
A	VAL278
A	ALA279
A	PRO280
A	HIS311
A	THR313
A	HIS345
A	PHE402
A	GLY403

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 1418

Chain	Residue
A	ASN309
A	ALA310
A	HIS311
A	GLU354
A	ASN399
A	ASN400

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 2PE A 1419

Chain	Residue
A	GLY115
A	LEU116
A	GLU120
A	VAL123
A	PRO201
A	ALA209
B	MET146

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEG A 1420

Chain	Residue
A	GLU199
A	GLY200
A	PHE239
A	HIS345

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 2PE B 1417

Chain	Residue
B	GLU120
B	GLU199
B	GLY200
B	PRO201
B	GLU203
B	HIS345
B	PEG1423

site_id	AC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TLM B 1419

Chain	Residue
B	GLN171
B	VAL278
B	ALA279
B	PRO280
B	HIS311
B	THR313
B	HIS345
B	PHE402
B	PHE404
B	GLY406
B	HOH2137

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA B 1420

Chain	Residue
B	ASN309
B	ALA310
B	HIS311
B	GLU354
B	ASN399
B	ASN400

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PEG B 1423

Chain	Residue
A	VAL142
B	GLY115
B	ALA170
B	PHE210
B	ILE347
B	2PE1417

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PEG B 1424

Chain	Residue
B	MET213
B	ARG214
B	VAL278
B	ILE317
B	HOH2061
B	HOH2084
B	HOH2138
D	TYR391

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PEG B 1425

Chain	Residue
B	ARG79
B	MET80
B	GLN84
B	GLN143
B	VAL153
B	LEU156
B	GLN157

site_id	BC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TLM C 1417

Chain	Residue
C	GLN171
C	VAL278
C	ALA279
C	PRO280
C	HIS311
C	THR313
C	HIS345
C	PHE402
C	GLY403
C	PHE404
C	GLY406

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA C 1418

Chain	Residue
C	ASN309
C	ALA310
C	HIS311
C	GLU354
C	ASN399
C	ASN400

site_id	BC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 2PE C 1419

Chain	Residue
C	GLY117
C	GLU120
C	GLY200
C	PRO201
C	LEU205
C	ALA209
D	ILE145
D	MET146

site_id	BC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TLM D 1417

Chain	Residue
D	VAL278
D	ALA279
D	PRO280
D	HIS311
D	HIS345
D	PHE402
D	GLY403
D	PHE404
D	GLY406
D	HOH2127
D	GLN171

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA D 1418

Chain	Residue
D	ASN309
D	ALA310
D	HIS311
D	GLU354
D	ASN399
D	ASN400

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 2PE D 1419

Chain	Residue
C	ILE145
D	GLU120
D	GLU199
D	PRO201
D	ALA209

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TLM E 1417

Chain	Residue
E	GLN171
E	VAL278
E	ALA279
E	PRO280
E	HIS311
E	THR313
E	HIS345
E	PHE402
E	PHE404

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA E 1418

Chain	Residue
E	ASN309
E	ALA310
E	HIS311
E	GLU354
E	ASN399
E	ASN400

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 2PE E 1419

Chain	Residue
E	GLY115
E	GLU120
E	PRO201
E	LEU205
E	ALA209
F	MET146

site_id	CC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TLM F 1417

Chain	Residue
F	GLN171
F	PHE237
F	VAL278
F	ALA279
F	PRO280
F	HIS311
F	THR313
F	HIS345
F	PHE402
F	GLY403
F	PHE404
F	GLY406

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA F 1418

Chain	Residue
F	ASN309
F	ALA310
F	HIS311
F	GLU354
F	ASN399
F	ASN400

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PEG F 1419

Chain	Residue
F	GLU199
F	GLY200
F	PHE210
F	PHE239
F	HIS345
F	2PE1420

site_id	CC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 2PE F 1420

Chain	Residue
E	ILE145
F	GLY115
F	ALA119
F	GLU120
F	PRO201
F	ILE347
F	PEG1419

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 2PE G 1417

Chain	Residue
G	GLY115
G	ALA119
G	GLU120
G	PRO201
G	GLU203
G	LEU205
G	ALA209

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEG G 1418

Chain	Residue
G	GLU199
G	GLY200
G	HIS345
G	ILE347

site_id	CC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TLM G 1419

Chain	Residue
G	GLN171
G	VAL278
G	ALA279
G	PRO280
G	HIS311
G	THR313
G	HIS345
G	PHE402
G	PHE404
G	HOH2093

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA G 1420

Chain	Residue
G	ASN309
G	ALA310
G	HIS311
G	GLU354
G	ASN399
G	ASN400

site_id	DC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TLM H 1417

Chain	Residue
H	GLN171
H	VAL278
H	ALA279
H	PRO280
H	HIS311
H	THR313
H	HIS345
H	PHE402
H	GLY403
H	PHE404
H	GLY406

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA H 1418

Chain	Residue
H	ASN309
H	ALA310
H	HIS311
H	GLU354
H	ASN399
H	ASN400

site_id	DC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 2PE H 1419

Chain	Residue
G	ILE145
H	GLY115
H	GLU120
H	PRO201
H	LEU205
H	ALA209

site_id	DC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PEG C 1420

Chain	Residue
C	GLU199
C	GLY200
C	ILE202
C	PRO206
C	PHE239
C	GLU241
C	HIS345
C	ILE347

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3232
Details	Domain: {"description":"Ketosynthase family 3 (KS3)","evidences":[{"source":"PROSITE-ProRule","id":"PRU01348","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	8
Details	Active site: {"description":"For beta-ketoacyl synthase activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01348","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19604480","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"24108128","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"24479625","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	16
Details	Active site: {"description":"For beta-ketoacyl synthase activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01348","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19604480","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"24108128","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	24
Details	Site: {"description":"Interacts with the inhibitor thiolactomycin","evidences":[{"source":"PubMed","id":"19604480","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24108128","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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