6AYT

Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with pyrazinylthio-DADMe-Immucillin-A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase	polymer	238	26312.4	4	UniProt (A0A1E7P7U4) Pfam (PF01048) UniProt (by SIFTS) (Q0PC20)	Campylobacter jejuni
2	E, G, H, J (A, B, C, D)	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol	non-polymer		357.4	4	Chemie (4EH)
3	F, I, K (A, C, D)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	L, M, N, O (A, B, C, D)	water	water		18.0	509	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 228 (UniProt: A0A1E7P7U4)

PDB	External Database	Details
Met -9	-	initiating methionine
Gly -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Asp 40	Asn 40	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	105249.7
Non-Polymers*	Number of molecules	7
	Total formula weight	1615.9
All*	Total formula weight	106865.6

*Water molecules are not included.