9H88

Crystal structure of LmrR variant V15aY-RNYW with Val15 replaced by 3-aminotyrosine and evolved as Friedel-Crafts alkylase

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)	Transcriptional regulator, PadR-like family	polymer	131	15276.1	2	UniProt (A2RI36)	Lactococcus cremoris subsp. cremoris MG1363
2	C, D, E (A)	NITRATE ION	non-polymer		62.0	3	Chemie (NO3) PubChem (943)
3	F, G (A, B)	water	water		18.0	208	Chemie (HOH)

Sequence modifications

A, B: 2 - 116 (UniProt: A2RI36)

PDB	External Database	Details
Gly 1	-	expression tag
Ty2 15	Val 15	engineered mutation
Arg 18	Leu 18	engineered mutation
Trp 19	Asn 19	engineered mutation
Asn 89	Met 89	engineered mutation
Tyr 92	Ala 92	engineered mutation
Ser 117	-	expression tag
Arg 118	-	expression tag
Gly 119	-	expression tag
Gly 120	-	expression tag
Ser 121	-	expression tag
Gly 122	-	expression tag
Gly 123	-	expression tag
Trp 124	-	expression tag
Ser 125	-	expression tag
His 126	-	expression tag
Pro 127	-	expression tag
Gln 128	-	expression tag
Phe 129	-	expression tag
Glu 130	-	expression tag
Lys 131	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	30552.3
Non-Polymers*	Number of molecules	3
	Total formula weight	186.0
All*	Total formula weight	30738.3

*Water molecules are not included.