3M2U

Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues

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	549	60508.5	2	UniProt (P11558) Pfam (PF02745) Pfam (PF02249)	Methanothermobacter marburgensis	MCR I alpha, Coenzyme-B sulfoethylthiotransferase alpha
2	B, E (B, E)	Methyl-coenzyme M reductase I subunit beta	polymer	442	47148.5	2	UniProt (P11560) Pfam (PF02783) Pfam (PF02241)	Methanothermobacter marburgensis	MCR I beta, Coenzyme-B sulfoethylthiotransferase beta
3	C, F (C, F)	Methyl-coenzyme M reductase I subunit gamma	polymer	248	28666.0	2	UniProt (P11562) Pfam (PF02240)	Methanothermobacter marburgensis	MCR I gamma, Coenzyme-B sulfoethylthiotransferase gamma
4	G, GA, H, HA, IA... (A, E, F, B, C...)	MAGNESIUM ION	non-polymer		24.3	11	Chemie (MG)
5	AA, I (D, A)	FACTOR 430	non-polymer		906.6	2	Chemie (F43)
6	BA, J (D, A)	Coenzyme B	non-polymer		343.3	2	Chemie (TP7)
7	CA, K (D, A)	1-THIOETHANESULFONIC ACID	non-polymer		142.2	2	Chemie (COM)
8	DA, L (D, A)	O-phosphono-N-(6-sulfanylhexanoyl)-L-threonine	non-polymer		329.3	2	Chemie (TXZ)
9	M, U (A, C)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
10	EA, FA, JA, KA, N... (D, F, A, C)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
11	P, W (A, C)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
12	Q (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
13	LA, MA, NA, OA, PA... (A, B, C, D, E...)	water	water		18.0	2290	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	272646.0
Non-Polymers*	Number of molecules	31
	Total formula weight	4540.4
All*	Total formula weight	277186.4

*Water molecules are not included.