9WI9

Crystal structure of engineered LmrR mutant with a covalent secondary amine cofactor link to Cystein on position 57

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Transcriptional regulator, PadR-like family	polymer	131	14980.8	1	UniProt (A2RI36)	Lactococcus cremoris subsp. cremoris MG1363
2	B (A)	(3~{S})-pyrrolidine-3-thiol	non-polymer		103.2	1	Chemie (A1EWH)
3	C (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	D (A)	water	water		18.0	3	Chemie (HOH)

Sequence modifications

A: 2 - 116 (UniProt: A2RI36)

PDB	External Database	Details
Gly 1	-	expression tag
Leu 15	Val 15	engineered mutation
Asp 55	Lys 55	conflict
Cys 57	Leu 57	engineered mutation
Gln 59	Lys 59	conflict
Val 62	Ile 62	engineered mutation
Ala 88	Asn 88	engineered mutation
Asn 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	1
	Total formula weight	14980.8
Non-Polymers*	Number of molecules	2
	Total formula weight	165.3
All*	Total formula weight	15146.0

*Water molecules are not included.