6ET0

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	PqsC	polymer	365	40321.8	2	UniProt (Q9I4X1) Pfam (PF08545) Pfam (PF08541) In PDB	Pseudomonas aeruginosa PAO1
2	B, D	PqsB	polymer	283	30547.8	2	UniProt (Q9I4X2) In PDB	Pseudomonas aeruginosa PAO1
3	A, B, C, D	SULFATE ION	non-polymer		96.1	15	Chemie (SO4)
4	A, C	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	2	Chemie (MRD)
5	A, C	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
6	B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
7	C	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
8		water	water		18.0	1518	Chemie (HOH)

Sequence modifications

A, C: 1 - 348 (UniProt: Q9I4X1)

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
Ala 129	Cys 129	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	141739.1
Non-Polymers*	Number of molecules	21
	Total formula weight	2081.8
All*	Total formula weight	143820.9

*Water molecules are not included.