3ETC

2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298

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)	AMP-binding protein	polymer	580	66230.9	2	UniProt (Q8TLW1) Pfam (PF00501) Pfam (PF13193)	Methanosarcina acetivorans
2	C, O (A, B)	FORMYL GROUP	non-polymer		30.0	2	Chemie (FOR)
3	D, P, Q (A, B)	TRIETHYLENE GLYCOL	non-polymer		150.2	3	Chemie (PGE)
4	E, F (A)	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
5	G, H, R (A, B)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	3	Chemie (EPE)
6	I, S (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7	J, T (A, B)	NITRATE ION	non-polymer		62.0	2	Chemie (NO3)
8	K, L, M, N, U... (A, B)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
9	X, Y (A, B)	water	water		18.0	429	Chemie (HOH)

Sequence modifications

A, B: 1 - 557 (UniProt: Q8TLW1)

PDB	External Database	Details
Met -22	-	expression tag
Gly -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
His -7	-	expression tag
Ile -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Lys -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	132461.7
Non-Polymers*	Number of molecules	21
	Total formula weight	2519.3
All*	Total formula weight	134981.1

*Water molecules are not included.