3R31

Crystal structure of betaine aldehyde dehydrogenase from Agrobacterium tumefaciens

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	517	55311.6	2	UniProt (Q8UH56) Pfam (PF00171) In PDB	Agrobacterium tumefaciens	BADH
2	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
3		water	water		18.0	219	Chemie (HOH)

Sequence modifications

A, B: 3 - 495 (UniProt: Q8UH56)

PDB	External Database	Details
Met 1	-	expression tag
Val 2	-	expression tag
Ala 496	-	expression tag
Glu 497	-	expression tag
Asn 498	-	expression tag
Leu 499	-	expression tag
Tyr 500	-	expression tag
Phe 501	-	expression tag
Gln 502	-	expression tag
Ser 503	-	expression tag
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag
His 508	-	expression tag
His 509	-	expression tag
Trp 510	-	expression tag
Ser 511	-	expression tag
His 512	-	expression tag
Pro 513	-	expression tag
Gln 514	-	expression tag
Phe 515	-	expression tag
Glu 516	-	expression tag
Lys 517	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	110623.2
Non-Polymers*	Number of molecules	2
	Total formula weight	124.1
All*	Total formula weight	110747.3

*Water molecules are not included.