5FAY

Y208F mutant of choline TMA-lyase

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)	Choline trimethylamine-lyase	polymer	815	91570.1	2	UniProt (Q30W70) Pfam (PF02901) Pfam (PF01228)	Desulfovibrio alaskensis
2	C, I, K (A, B)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
3	D, E, F, G, H... (A, B)	MALONATE ION	non-polymer		102.0	9	Chemie (MLI)
4	J, P (A, B)	CHOLINE ION	non-polymer		104.2	2	Chemie (CHT)
5	Q, R (A, B)	water	water		18.0	2369	Chemie (HOH)

Sequence modifications

A, B: 53 - 846 (UniProt: Q30W70)

PDB	External Database	Details
Met 32	-	initiating methionine
Gly 33	-	expression tag
Ser 34	-	expression tag
Ser 35	-	expression tag
His 36	-	expression tag
His 37	-	expression tag
His 38	-	expression tag
His 39	-	expression tag
His 40	-	expression tag
His 41	-	expression tag
Ser 42	-	expression tag
Ser 43	-	expression tag
Gly 44	-	expression tag
Leu 45	-	expression tag
Val 46	-	expression tag
Pro 47	-	expression tag
Arg 48	-	expression tag
Gly 49	-	expression tag
Ser 50	-	expression tag
His 51	-	expression tag
Met 52	-	expression tag
Phe 208	Tyr 208	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	183140.3
Non-Polymers*	Number of molecules	14
	Total formula weight	1195.7
All*	Total formula weight	184336.0

*Water molecules are not included.