7AE8

Crystal structure of HEPN(R102A) toxin

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	18254.6	4	UniProt (A0A0B0QJR1) Pfam (PF01934)	Aphanizomenon flos-aquae 2012/KM1/D3	HEPN toxin
2	E, F, G (A, B, D)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
3	H, I, J, K (A, B, C, D)	water	water		18.0	178	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
Ala 102	Arg 99	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	4
	Total formula weight	73018.4
Non-Polymers*	Number of molecules	3
	Total formula weight	177.1
All*	Total formula weight	73195.6

*Water molecules are not included.