5HWV

Crystal structure of PAS1 complexed with toluene

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)	Sensor histidine kinase TodS	polymer	130	14512.2	2	UniProt (A5W4E3) Pfam (PF08448)	Pseudomonas putida (strain F1 / ATCC 700007)
2	C, D (A, B)	TOLUENE	non-polymer		92.1	2	Chemie (MBN)
3	E, F (A, B)	water	water		18.0	308	Chemie (HOH)

Sequence modifications

A, B: 43 - 168 (UniProt: A5W4E3)

PDB	External Database	Details
Gly 39	-	expression tag
Ala 40	-	expression tag
Mse 41	-	expression tag
Ala 42	-	expression tag
Mse 71	Leu 71	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	29024.3
Non-Polymers*	Number of molecules	2
	Total formula weight	184.3
All*	Total formula weight	29208.6

*Water molecules are not included.