5HXU

Structure-function analysis of functionally diverse members of the cyclic amide hydrolase family of Toblerone fold enzymes

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)	Barbiturase	polymer	389	41188.2	2	UniProt (Q8RSQ2)	Rhodococcus erythropolis
2	C, G, H (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	D, I (A, B)	(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID	non-polymer		190.2	2	Chemie (MHA)
4	E, J (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	F, K (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	L, M (A, B)	water	water		18.0	617	Chemie (HOH)

Sequence modifications

A, B: 1 - 369 (UniProt: Q8RSQ2)

PDB	External Database	Details
Met -19	-	initiating methionine
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
Ser 287	Asn 287	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	82376.3
Non-Polymers*	Number of molecules	9
	Total formula weight	785.4
All*	Total formula weight	83161.7

*Water molecules are not included.