8B4A

Nativ complex of PqsE and RhlR with autoinducer C4-HSL

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	2-aminobenzoylacetyl-CoA thioesterase	polymer	318	36428.5	2	UniProt (P20581) Pfam (PF00753)	Pseudomonas aeruginosa PAO1
2	C, D (C, D)	Regulatory protein RhlR	polymer	241	27611.6	2	UniProt (P54292) Pfam (PF03472) Pfam (PF00196)	Pseudomonas aeruginosa PAO1	Elastase modulator
3	E, F, G, H (A, B)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
4	I, J (C, D)	N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide	non-polymer		171.2	2	Chemie (HL4)
5	K, L, M, N (A, B, C, D)	water	water		18.0	14	Chemie (HOH)

Sequence modifications

A, B: 1 - 301 (UniProt: P20581)

PDB	External Database	Details
Met -16	-	initiating methionine
Gly -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ala -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	128080.3
Non-Polymers*	Number of molecules	6
	Total formula weight	565.8
All*	Total formula weight	128646.1

*Water molecules are not included.