6ET0

Crystal structure of PqsBC (C129A) mutant from Pseudomonas aeruginosa (crystal form 1)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004315	molecular_function	3-oxoacyl-[acyl-carrier-protein] synthase activity
A	0005737	cellular_component	cytoplasm
A	0006633	biological_process	fatty acid biosynthetic process
A	0016740	molecular_function	transferase activity
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	0016740	molecular_function	transferase activity
C	0016746	molecular_function	acyltransferase activity
C	0044550	biological_process	secondary metabolite biosynthetic process
D	0005737	cellular_component	cytoplasm
D	0016746	molecular_function	acyltransferase activity
D	0044550	biological_process	secondary metabolite biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue SO4 A 900

Chain	Residue
A	GLN291
A	LYS317
A	HOH1008
A	HOH1019
A	HOH1184
A	HOH1207
A	HOH1270

---

site_id	AC2
Number of Residues	2
Details	binding site for residue SO4 A 901

Chain	Residue
A	ARG16
A	ARG50

---

site_id	AC3
Number of Residues	4
Details	binding site for residue SO4 A 902

Chain	Residue
A	VAL24
A	TYR46
A	PHE165
A	HOH1186

---

site_id	AC4
Number of Residues	4
Details	binding site for residue SO4 A 903

Chain	Residue
A	MET1
A	ARG144
A	HOH1089
A	HOH1160

---

site_id	AC5
Number of Residues	11
Details	binding site for residue MRD A 904

Chain	Residue
A	GLU128
A	ALA129
A	PHE173
A	HIS269
A	PRO271
A	VAL299
A	ILE301
A	ALA329
A	ALA330
A	THR331
A	TRP333

---

site_id	AC6
Number of Residues	6
Details	binding site for residue MPD A 905

Chain	Residue
A	GLU128
A	ILE159
A	THR208
A	GLY209
A	THR331
B	ALA77

---

site_id	AC7
Number of Residues	7
Details	binding site for residue SO4 B 900

Chain	Residue
B	ALA159
B	ARG161
B	HOH1017
B	HOH1057
B	HOH1091
B	HOH1205
D	SO4301

---

site_id	AC8
Number of Residues	9
Details	binding site for residue SO4 B 901

Chain	Residue
A	ASN109
B	ARG162
B	VAL269
B	HOH1028
B	HOH1035
B	HOH1042
B	HOH1059
B	HOH1196
B	HOH1228

---

site_id	AC9
Number of Residues	2
Details	binding site for residue SO4 B 902

Chain	Residue
B	ARG43
D	ARG185

---

site_id	AD1
Number of Residues	6
Details	binding site for residue SO4 B 903

Chain	Residue
B	PRO12
B	ARG37
B	HOH1013
B	HOH1024
B	HOH1182
D	SER137

---

site_id	AD2
Number of Residues	9
Details	binding site for residue PEG B 904

Chain	Residue
B	GLN29
B	GLU32
B	GLN36
B	HOH1018
D	GLU134
D	VAL190
D	HOH502
D	HOH592
D	HOH623

---

site_id	AD3
Number of Residues	2
Details	binding site for residue SO4 C 401

Chain	Residue
C	VAL24
C	HOH507

---

site_id	AD4
Number of Residues	4
Details	binding site for residue SO4 C 402

Chain	Residue
C	MET1
C	ARG144
C	HOH644
C	HOH686

---

site_id	AD5
Number of Residues	8
Details	binding site for residue MPD C 403

Chain	Residue
C	SER85
C	GLU128
C	ILE159
C	PHE173
C	THR208
C	GLY209
C	PHE227
C	ILE301

---

site_id	AD6
Number of Residues	9
Details	binding site for residue MRD C 404

Chain	Residue
C	GLU128
C	ALA129
C	PHE173
C	HIS269
C	PRO271
C	ILE301
C	ALA329
C	THR331
C	TRP333

---

site_id	AD7
Number of Residues	6
Details	binding site for residue EDO C 405

Chain	Residue
C	PHE56
C	SER57
C	ASP91
C	HOH545
C	HOH615
C	HOH679

---

site_id	AD8
Number of Residues	10
Details	binding site for residue SO4 C 406

Chain	Residue
C	HOH590
C	HOH663
C	HOH683
C	HOH739
D	ASP57
D	ARG92
D	TYR119
C	GLU197
C	HIS198
C	ARG251

---

site_id	AD9
Number of Residues	7
Details	binding site for residue SO4 D 301

Chain	Residue
B	SO4900
D	ALA159
D	ARG161
D	HOH412
D	HOH443
D	HOH543
D	HOH564

---

site_id	AE1
Number of Residues	10
Details	binding site for residue SO4 D 302

Chain	Residue
C	HOH552
C	HOH725
D	ARG162
D	VAL269
D	HOH411
D	HOH417
D	HOH474
D	HOH604
D	HOH660
D	HOH664

---

site_id	AE2
Number of Residues	4
Details	binding site for residue SO4 D 303

Chain	Residue
D	PRO12
D	ARG37
D	SO4304
D	HOH514

---

site_id	AE3
Number of Residues	9
Details	binding site for residue SO4 D 304

Chain	Residue
C	ASP21
C	HOH704
D	ASN9
D	LEU10
D	ARG37
D	SO4303
D	HOH401
D	HOH431
D	HOH551

---

Functional Information from PROSITE/UniProt

site_id	PS00430
Number of Residues	80
Details	TONB_DEPENDENT_REC_1 TonB-dependent receptor (TBDR) proteins signature 1. mghhhhhhaenlyfqghmhkvklaaitcelparsyenddpvfaavpdlseswwqfwgvnrrgyfdprngene...........................................FSLVVRAA

Chain	Residue	Details
A	MET-16-ALA63

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Acyl-thioester intermediate","evidences":[{"source":"PubMed","id":"24239007","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"26811339","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PubMed","id":"26811339","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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