8BO9

NanoLuc-D9R/H57A/K89R mutant complexed with azacoelenterazine bound in intra-barrel catalytic site

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 (A, B, C)	Non structural polyprotein	polymer	181	20392.3	3	UniProt (A0A482LYE4)	synthetic construct
2	D, E, F (A, B, C)	3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one	non-polymer		425.5	3	Chemie (NSW)
3	G, H, I (A, B, C)	water	water		18.0	20	Chemie (HOH)

Sequence modifications

A, B, C: 0 - 169 (UniProt: A0A482LYE4)

PDB	External Database	Details
Met -11	-	initiating methionine
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
Ser -4	-	expression tag
Asp -3	-	expression tag
Asn -2	-	expression tag
Met -1	-	expression tag
Arg 9	Asp 81	engineered mutation
Ala 57	His 129	engineered mutation
Arg 89	Lys 161	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	61176.9
Non-Polymers*	Number of molecules	3
	Total formula weight	1276.4
All*	Total formula weight	62453.3

*Water molecules are not included.