8VQW

Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CoA 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	Betaine aldehyde dehydrogenase	polymer	499	54062.3	4	UniProt (A0A447LC14) Pfam (PF00171) UniProt (by SIFTS) (A0A0H3FPU4) In PDB	Klebsiella aerogenes KCTC 2190
2	A	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
3	B	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	C, D	COENZYME A	non-polymer		767.5	2	Chemie (COA)
7		water	water		18.0	670	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	6
	Total formula weight	1918.9
All*	Total formula weight	218168.0

*Water molecules are not included.