4JEX

Y21K mutant of N-acetylornithine aminotransferase complexed with L-canaline

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Acetylornithine/succinyldiaminopimelate aminotransferase	polymer	422	45705.0	2	UniProt (P40732) Pfam (PF00202) In PDB	Salmonella typhimurium	ACOAT, DapATase, Succinyldiaminopimelate transferase
2	A, B	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
3	A, B	ACETATE ION	non-polymer		59.0	11	Chemie (ACT)
4	A, B	(2S)-2-azanyl-4-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid	non-polymer		363.3	2	Chemie (P00)
5	A, B	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
6	B	PICRIC ACID	non-polymer		229.1	1	Chemie (TNF)
7		water	water		18.0	640	Chemie (HOH)

Sequence modifications

A, B: 1 - 405 (UniProt: P40732)

PDB	External Database	Details
Met -14	-	expression tag
Arg -13	-	expression tag
Gly -12	-	expression tag
Ser -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
Gly -4	-	expression tag
Met -3	-	expression tag
Ala -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Lys 21	Tyr 21	engineered mutation
Thr 298	Ala 298	engineered mutation
Leu 406	-	expression tag
Glu 407	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91409.9
Non-Polymers*	Number of molecules	24
	Total formula weight	2147.6
All*	Total formula weight	93557.6

*Water molecules are not included.