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... (A, B, C, D, E...)	Betaine aldehyde dehydrogenase	polymer	520	57504.6	8	UniProt (Q5HCU0) Pfam (PF00171) UniProt (by SIFTS) (A0A0H2X0S3)	Staphylococcus aureus subsp. aureus
2	DA, GA, I, L, O... (G, H, A, B, C...)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	8	Chemie (NAD)
3	AA, BA, CA, EA, FA... (F, G, H, A, B...)	SODIUM ION	non-polymer		23.0	19	Chemie (NA)
4	JA, KA, LA, MA, NA... (A, B, C, D, E...)	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.