3S6G

Crystal structures of Seleno-substituted mutant mmNAGS in space group P212121

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, X, Y)	N-acetylglutamate kinase / N-acetylglutamate synthase	polymer	460	50526.7	4	UniProt (Q0ASS9) Pfam (PF00696) Pfam (PF04768)	Maricaulis maris
2	E, I (A, Y)	MALONATE ION	non-polymer		102.0	2	Chemie (MLI)
3	F, J (A, Y)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	G (X)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	H (Y)	COENZYME A	non-polymer		767.5	1	Chemie (COA)
6	K, L, M, N (A, B, X, Y)	water	water		18.0	84	Chemie (HOH)

Sequence modifications

A, B, X, Y: 1 - 440 (UniProt: Q0ASS9)

PDB	External Database	Details
Mse -19	-	expression tag
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
Mse 106	Ile 106	engineered mutation
Mse 294	Ile 294	engineered mutation
Mse 376	Leu 376	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	202106.7
Non-Polymers*	Number of molecules	6
	Total formula weight	1191.8
All*	Total formula weight	203298.6

*Water molecules are not included.