7F10

Crystal structure of NsrQ M128I in complex with substrate analogue 3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	NsrQ	polymer	171	19211.8	2	UniProt (A0A2I1C3W8) In PDB	Aspergillus novofumigatus
2	B	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate	non-polymer		302.3	1	Chemie (0BJ)
3		water	water		18.0	310	Chemie (HOH)

Sequence modifications

A, B: 1 - 151 (UniProt: A0A2I1C3W8)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ile 128	Met 128	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	38423.6
Non-Polymers*	Number of molecules	1
	Total formula weight	302.3
All*	Total formula weight	38725.9

*Water molecules are not included.