4NU9

2.30 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus with BME-free Cys289

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Betaine aldehyde dehydrogenase	polymer	520	57428.5	2	UniProt (Q5HCU0) Pfam (PF00171) UniProt (by SIFTS) (A0A0H2X0S3) In PDB	Staphylococcus aureus subsp. aureus	betB
2	A, B	SODIUM ION	non-polymer		23.0	4	Chemie (NA)
3		water	water		18.0	605	Chemie (HOH)

Sequence modifications

A, B: 1 - 496 (UniProt: Q5HCU0)

PDB	External Database	Details
Met -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	114856.9
Non-Polymers*	Number of molecules	4
	Total formula weight	92.0
All*	Total formula weight	114948.9

*Water molecules are not included.