6AYO

Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with 5'-deoxy-5'-Propyl-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 (A, B)	5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase	polymer	238	26312.4	2	UniProt (A0A1E7P7U4) Pfam (PF01048) UniProt (by SIFTS) (Q0PC20)	Campylobacter jejuni
2	C, E (A, B)	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol	non-polymer		275.3	2	Chemie (C1Y)
3	D, F, G, H (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
4	I (B)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	1	Chemie (BTB)
5	J, K (A, B)	water	water		18.0	349	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	52624.9
Non-Polymers*	Number of molecules	7
	Total formula weight	1008.2
All*	Total formula weight	53633.1

*Water molecules are not included.