5KKW

Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)

Replaces:  5HMT

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cyclohexadienyl dehydratase	polymer	249	27898.9	1	UniProt (Q4FLR5) Pfam (PF00497) In PDB	Pelagibacter ubique (strain HTCC1062)
2	A	3-(1-methylpiperidinium-1-yl)propane-1-sulfonate	non-polymer		221.3	1	Chemie (KH2)
3	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4		water	water		18.0	95	Chemie (HOH)

Sequence modifications

A: 12 - 248 (UniProt: Q4FLR5)

PDB	External Database	Details
Met 1	-	initiating methionine
Arg 2	-	expression tag
Gly 3	-	expression tag
Ser 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
Ile 11	-	expression tag
Leu 249	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	27898.9
Non-Polymers*	Number of molecules	2
	Total formula weight	317.4
All*	Total formula weight	28216.3

*Water molecules are not included.