4MPY

1.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus (IDP00699) in complex with NAD+

Replaces:  3FG0

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, E...	Betaine aldehyde dehydrogenase	polymer	520	57504.6	8	UniProt (Q5HCU0) Pfam (PF00171) UniProt (by SIFTS) (A0A0H2X0S3) In PDB	Staphylococcus aureus subsp. aureus
2	G, H, A, B, C...	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	8	Chemie (NAD)
3	F, G, H, A, B...	SODIUM ION	non-polymer		23.0	19	Chemie (NA)
4		water	water		18.0	4574	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 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	8
	Total formula weight	460036.7
Non-Polymers*	Number of molecules	27
	Total formula weight	5744.2
All*	Total formula weight	465780.9

*Water molecules are not included.