7AE9

Crystal structure of mono-AMPylated HEPN(R46E) toxin in complex with MNT antitoxin

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)	HEPN toxin	polymer	157	18312.6	4	UniProt (A0A0B0QJR1) Pfam (PF01934)	Aphanizomenon flos-aquae 2012/KM1/D3
2	E, F, G, H (E, F, G, H)	MNT ANTITOXIN	polymer	150	17380.0	4	UniProt (A0A0B0QJN8) Pfam (PF18765)	Aphanizomenon flos-aquae 2012/KM1/D3
3	I, J, K (A, B, D)	2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE	non-polymer		315.2	3	Chemie (2DA)
4	L, M, N, O (A, B, C, G)	water	water		18.0	5	Chemie (HOH)

Sequence modifications

A, B, C, D: 5 - 147 (UniProt: A0A0B0QJR1)

PDB	External Database	Details
Met 1	-	initiating methionine
Thr 2	-	expression tag
Asn 3	-	expression tag
Ile 4	-	expression tag
Glu 46	Arg 43	engineered mutation
Leu 148	-	expression tag
Glu 149	-	expression tag
Ser 150	-	expression tag
Gly 151	-	expression tag
His 152	-	expression tag
His 153	-	expression tag
His 154	-	expression tag
His 155	-	expression tag
His 156	-	expression tag
His 157	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	142770.7
Non-Polymers*	Number of molecules	3
	Total formula weight	945.7
All*	Total formula weight	143716.4

*Water molecules are not included.