Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5DWZ

Structural and functional characterization of PqsBC, a condensing enzyme in the biosynthesis of the Pseudomonas aeruginosa quinolone signal

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005737	cellular_component	cytoplasm
A	0016746	molecular_function	acyltransferase activity
A	0044550	biological_process	secondary metabolite biosynthetic process
B	0005737	cellular_component	cytoplasm
B	0016746	molecular_function	acyltransferase activity
B	0044550	biological_process	secondary metabolite biosynthetic process
C	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
C	0005737	cellular_component	cytoplasm
C	0006633	biological_process	fatty acid biosynthetic process
C	0016746	molecular_function	acyltransferase activity
C	0044550	biological_process	secondary metabolite biosynthetic process
D	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
D	0005737	cellular_component	cytoplasm
D	0006633	biological_process	fatty acid biosynthetic process
D	0016746	molecular_function	acyltransferase activity
D	0044550	biological_process	secondary metabolite biosynthetic process
E	0005737	cellular_component	cytoplasm
E	0016746	molecular_function	acyltransferase activity
E	0044550	biological_process	secondary metabolite biosynthetic process
F	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
F	0005737	cellular_component	cytoplasm
F	0006633	biological_process	fatty acid biosynthetic process
F	0016746	molecular_function	acyltransferase activity
F	0044550	biological_process	secondary metabolite biosynthetic process
G	0005737	cellular_component	cytoplasm
G	0016746	molecular_function	acyltransferase activity
G	0044550	biological_process	secondary metabolite biosynthetic process
H	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
H	0005737	cellular_component	cytoplasm
H	0006633	biological_process	fatty acid biosynthetic process
H	0016746	molecular_function	acyltransferase activity
H	0044550	biological_process	secondary metabolite biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue PO4 C 401

Chain	Residue
C	ALA129
C	PHE173
C	HIS269
C	ILE301
C	HOH522
C	HOH599

site_id	AC2
Number of Residues	4
Details	binding site for residue PO4 C 402

Chain	Residue
F	LYS236
C	SER167
C	ARG168
F	GLY233

site_id	AC3
Number of Residues	6
Details	binding site for residue PO4 C 403

Chain	Residue
C	PHE203
C	LYS236
C	MET237
C	PHE240
C	VAL241
F	ARG168

site_id	AC4
Number of Residues	9
Details	binding site for residue GOL C 404

Chain	Residue
B	ARG92
B	GLY215
B	PRO218
B	HOH660
C	HIS198
C	ALA238
C	SER239
C	ARG251
C	HOH549

site_id	AC5
Number of Residues	7
Details	binding site for residue GOL C 405

Chain	Residue
B	GLN85
B	GLY89
B	ALA90
C	ASP200
C	ALA201
C	THR202
C	HOH555

site_id	AC6
Number of Residues	4
Details	binding site for residue MPO C 406

Chain	Residue
C	PHE38
C	PHE274
F	SER34
F	TRP35

site_id	AC7
Number of Residues	9
Details	binding site for residue MPO C 407

Chain	Residue
C	MET237
C	VAL241
C	PRO242
C	THR243
C	ASN244
C	VAL245
C	TRP279
C	TRP333
C	PHE335

site_id	AC8
Number of Residues	6
Details	binding site for residue TRS C 408

Chain	Residue
C	ASP30
C	LEU31
C	SER32
C	ARG168
F	VAL241
F	PRO242

site_id	AC9
Number of Residues	3
Details	binding site for residue CL C 409

Chain	Residue
B	ARG162
B	HOH612
C	ASN109

site_id	AD1
Number of Residues	8
Details	binding site for residue GOL B 501

Chain	Residue
B	MET1
B	THR155
B	LYS157
B	ALA158
B	GLU257
B	THR274
B	LEU275
B	GLU276

site_id	AD2
Number of Residues	7
Details	binding site for residue GOL B 502

Chain	Residue
B	ASP57
B	ARG92
B	TYR119
B	ARG212
B	HOH644
C	GLU197
C	HIS198

site_id	AD3
Number of Residues	5
Details	binding site for residue GOL B 503

Chain	Residue
B	ARG207
B	PHE210
B	TRP222
B	HOH634
C	GLU254

site_id	AD4
Number of Residues	9
Details	binding site for residue GOL B 504

Chain	Residue
B	PRO203
B	VAL206
B	ARG207
B	GLU225
B	GLU226
B	TRP227
B	PHE228
B	HOH603
B	HOH651

site_id	AD5
Number of Residues	4
Details	binding site for residue PGE B 505

Chain	Residue
B	ASN9
B	LEU10
B	GLN36
B	ARG37

site_id	AD6
Number of Residues	6
Details	binding site for residue PO4 D 401

Chain	Residue
D	PHE203
D	LYS236
D	MET237
D	PHE240
D	VAL241
H	ARG168

site_id	AD7
Number of Residues	6
Details	binding site for residue PO4 D 402

Chain	Residue
D	ALA129
D	PHE173
D	HIS269
D	VAL299
D	ILE301
D	HOH525

site_id	AD8
Number of Residues	4
Details	binding site for residue PO4 D 403

Chain	Residue
D	SER167
D	ARG168
D	THR169
H	LYS236

site_id	AD9
Number of Residues	7
Details	binding site for residue PO4 D 404

Chain	Residue
D	VAL241
D	PRO242
D	THR243
D	ASN244
D	VAL245
D	TRP279
D	PHE335

site_id	AE1
Number of Residues	7
Details	binding site for residue GOL D 405

Chain	Residue
A	GLN85
A	GLY89
A	ASN91
D	ASP200
D	ALA201
D	THR202
D	HOH554

site_id	AE2
Number of Residues	5
Details	binding site for residue MPO D 406

Chain	Residue
D	LEU31
D	SER32
D	HOH545
H	PRO242
H	PHE274

site_id	AE3
Number of Residues	2
Details	binding site for residue PEG D 407

Chain	Residue
D	PHE274
H	SER34

site_id	AE4
Number of Residues	2
Details	binding site for residue PEG D 408

Chain	Residue
D	TYR18
D	PHE165

site_id	AE5
Number of Residues	2
Details	binding site for residue CL D 409

Chain	Residue
D	ASN109
D	LYS113

site_id	AE6
Number of Residues	7
Details	binding site for residue PO4 A 401

Chain	Residue
A	MET1
A	LYS157
A	ALA158
A	GLU257
A	THR274
A	LEU275
A	GLU276

site_id	AE7
Number of Residues	4
Details	binding site for residue PO4 F 401

Chain	Residue
C	PRO242
F	SER32
F	TRP35
F	HOH515

site_id	AE8
Number of Residues	6
Details	binding site for residue PO4 F 402

Chain	Residue
C	ARG168
F	PHE203
F	LYS236
F	MET237
F	PHE240
F	VAL241

site_id	AE9
Number of Residues	7
Details	binding site for residue PO4 F 403

Chain	Residue
F	VAL241
F	PRO242
F	THR243
F	ASN244
F	VAL245
F	TRP279
F	PHE335

site_id	AF1
Number of Residues	5
Details	binding site for residue PO4 F 404

Chain	Residue
F	ALA129
F	PHE173
F	HIS269
F	ILE301
F	HOH513

site_id	AF2
Number of Residues	5
Details	binding site for residue PO4 F 405

Chain	Residue
F	LEU163
F	ASP164
F	THR169
F	SER170
F	LEU225

site_id	AF3
Number of Residues	5
Details	binding site for residue PO4 F 406

Chain	Residue
C	LYS236
F	SER167
F	ARG168
F	THR169
F	HOH512

site_id	AF4
Number of Residues	7
Details	binding site for residue PO4 E 401

Chain	Residue
E	MET1
E	LYS157
E	ALA158
E	GLU257
E	THR274
E	LEU275
E	GLU276

site_id	AF5
Number of Residues	6
Details	binding site for residue NA E 402

Chain	Residue
E	LEU165
E	GLY166
E	HOH535
E	HOH556
E	HOH628
H	HOH524

site_id	AF6
Number of Residues	4
Details	binding site for residue PO4 H 401

Chain	Residue
D	PRO242
H	LEU31
H	SER32
H	TRP35

site_id	AF7
Number of Residues	6
Details	binding site for residue PO4 H 402

Chain	Residue
D	ARG168
H	PHE203
H	LYS236
H	MET237
H	PHE240
H	VAL241

site_id	AF8
Number of Residues	7
Details	binding site for residue PO4 H 403

Chain	Residue
H	ALA129
H	PHE173
H	HIS269
H	VAL299
H	ILE301
H	HOH532
H	HOH558

site_id	AF9
Number of Residues	5
Details	binding site for residue PO4 H 404

Chain	Residue
H	LEU163
H	ASP164
H	THR169
H	SER170
H	HOH502

site_id	AG1
Number of Residues	5
Details	binding site for residue PO4 H 405

Chain	Residue
D	LYS236
H	SER167
H	ARG168
H	THR169
H	HOH575

site_id	AG2
Number of Residues	8
Details	binding site for residue MPO H 406

Chain	Residue
H	VAL241
H	PRO242
H	THR243
H	ASN244
H	VAL245
H	TRP279
H	TRP333
H	PHE335

site_id	AG3
Number of Residues	7
Details	binding site for residue PEG H 407

Chain	Residue
H	ASN20
H	VAL28
H	PRO29
H	LEU31
H	TRP36
H	HOH510
H	HOH602

Functional Information from PROSITE/UniProt

site_id	PS00430
Number of Residues	65
Details	TONB_DEPENDENT_REC_1 TonB-dependent receptor (TBDR) proteins signature 1. saghkvklaaitcelparsyenddpvfaavpdlseswwqfwgvnrrgyfdprngene..........................................................FSLVVRAA

Chain	Residue	Details
C	SER-1-ALA63

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Acyl-thioester intermediate => ECO:0000305\|PubMed:24239007, ECO:0000305\|PubMed:26811339

Chain	Residue	Details
C	ALA129
D	ALA129
F	ALA129
H	ALA129

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: ACT_SITE => ECO:0000305\|PubMed:26811339

Chain	Residue	Details
C	HIS269
D	HIS269
F	HIS269
H	HIS269

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