8QDH

Engineered LmrR carrying a cyclic boronate ester formed between Tris and p-boronophenylalanine at position 89

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	15273.0	2	UniProt (A2RI36) Pfam (PF03551)	Lactococcus cremoris subsp. cremoris MG1363
2	C, D, E (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
3	F, G (A, B)	water	water		18.0	81	Chemie (HOH)

Sequence modifications

A, B: 1 - 116 (UniProt: A2RI36)

PDB	External Database	Details
His 8	Met 8	engineered mutation
Sd0 89	Met 89	engineered mutation
Leu 92	Ala 92	engineered mutation
Glu 93	Phe 93	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	30545.9
Non-Polymers*	Number of molecules	3
	Total formula weight	276.3
All*	Total formula weight	30822.2

*Water molecules are not included.