3POT

Structural analysis of a Ni(III)-methyl species in methyl-coenzyme M reductase from Methanothermobacter marburgensis

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, D)	Methyl-coenzyme M reductase I subunit alpha	polymer	550	60639.7	2	UniProt (P11558)	Methanothermobacter marburgensis (Methanobacterium thermoautotrophicum)	MCR I alpha, Coenzyme-B sulfoethylthiotransferase alpha
2	B, E (B, E)	Methyl-coenzyme M reductase I subunit beta	polymer	443	47279.7	2	UniProt (P11560)	Methanothermobacter marburgensis (Methanobacterium thermoautotrophicum)	MCR I beta, Coenzyme-B sulfoethylthiotransferase beta
3	C, F (C, F)	Methyl-coenzyme M reductase I subunit gamma	polymer	249	28797.2	2	UniProt (P11562)	Methanothermobacter marburgensis (Methanobacterium thermoautotrophicum)	MCR I gamma, Coenzyme-B sulfoethylthiotransferase gamma
4	BA, CA, DA, G, H... (E, F, A, B, C...)	MAGNESIUM ION	non-polymer		24.3	12	Chemie (MG)
5	K, V (A, D)	FACTOR 430	non-polymer		906.6	2	Chemie (F43)
6	L, Y (A, D)	1-THIOETHANESULFONIC ACID	non-polymer		142.2	2	Chemie (COM)
7	M, X (A, D)	O-phosphono-N-(6-sulfanylhexanoyl)-L-threonine	non-polymer		329.3	2	Chemie (TXZ)
8	N, W (A, D)	Coenzyme B	non-polymer		343.3	2	Chemie (TP7)
9	O, Z (A, D)	Iodomethane	non-polymer		141.9	2	Chemie (06C)
10	P (A)	POTASSIUM ION	non-polymer		39.1	1	Chemie (K)
11	AA (D)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
12	EA, FA, GA, HA, IA... (A, B, C, D, E...)	water	water		18.0	2602	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	273433.1
Non-Polymers*	Number of molecules	24
	Total formula weight	4119.5
All*	Total formula weight	277552.7

*Water molecules are not included.