8SAD

Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP/Malonate complex (C2 form)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Cystathionine beta-lyase	polymer	403	44102.2	2	UniProt (A0A0H3FMF8) Pfam (PF01053)	Klebsiella aerogenes KCTC 2190
2	C, M (A, B)	PYRIDOXAL-5'-PHOSPHATE	non-polymer		247.1	2	Chemie (PLP)
3	D, N (A, B)	MALONATE ION	non-polymer		102.0	2	Chemie (MLI)
4	E, O (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	F, G, P, Q (A, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
6	H, I, J, K, R... (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	7	Chemie (MPD)
7	L (B)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
8	U, V (A, B)	water	water		18.0	664	Chemie (HOH)

Sequence modifications

A, B: 1 - 395 (UniProt: A0A0H3FMF8)

PDB	External Database	Details
Met -7	-	initiating methionine
Ala -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
Ile 244	Val 244	engineered mutation
Pro 360	Leu 360	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	88204.5
Non-Polymers*	Number of molecules	18
	Total formula weight	1811.0
All*	Total formula weight	90015.5

*Water molecules are not included.