6VUE

wild-type choline TMA lyase in complex with 1-methyl-1,2,3,6-tetrahydropyridin-3-ol

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	91586.1	2	UniProt (Q30W70) Pfam (PF02901) Pfam (PF01228)	Desulfovibrio alaskensis (strain G20)	Choline TMA-lyase,Choline utilization protein C,Glycyl radical enzyme CutC,GRE CutC
2	C, E (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
3	D, F (A, B)	(3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol	non-polymer		113.2	2	Chemie (RP7)
4	G, H (A, B)	water	water		18.0	476	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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	183172.3
Non-Polymers*	Number of molecules	4
	Total formula weight	272.3
All*	Total formula weight	183444.5

*Water molecules are not included.