9WI1

Crystal structure of LmrR with a covalent secondary amine bound 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	14937.7	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, D, E (A)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	F (A)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

A: 2 - 116 (UniProt: A2RI36)

PDB	External Database	Details
Gly 1	-	expression tag
Asp 55	Lys 55	conflict
Cys 57	Leu 57	engineered mutation
Gln 59	Lys 59	conflict
Ala 88	Asn 88	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	14937.7
Non-Polymers*	Number of molecules	4
	Total formula weight	289.4
All*	Total formula weight	15227.1

*Water molecules are not included.