7R3J

Nativ complex of PqsE and RhlR with the synthetic antagonist mBTL

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)	4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide	non-polymer		358.3	2	Chemie (K5G)
5	K, L, M, N (A, B, C, D)	water	water		18.0	23	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	939.9
All*	Total formula weight	129020.2

*Water molecules are not included.