8VR1

Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CTP bound)

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 (A, B, C, D)	Betaine aldehyde dehydrogenase	polymer	499	54062.3	4	UniProt (A0A447LC14) Pfam (PF00171) UniProt (by SIFTS) (A0A0H3FPU4)	Klebsiella aerogenes KCTC 2190
2	E, G, I, K (A, B, C, D)	CYTIDINE-5'-TRIPHOSPHATE	non-polymer		483.2	4	Chemie (CTP)
3	F, H, J, L (A, B, C, D)	PHOSPHATE ION	non-polymer		95.0	4	Chemie (PO4)
4	M, N, O, P (A, B, C, D)	water	water		18.0	823	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 490 (UniProt: A0A447LC14)

PDB	External Database	Details
Met -8	-	expression tag
Ala -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Ala 62	Val 62	engineered mutation
Pro 485	Gln 485	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	216249.1
Non-Polymers*	Number of molecules	8
	Total formula weight	2312.5
All*	Total formula weight	218561.6

*Water molecules are not included.