8SA8

Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, Covalently bound and free PLP (I2 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, C, D	Cystathionine beta-lyase	polymer	403	44102.2	4	UniProt (A0A0H3FMF8) Pfam (PF01053) In PDB	Klebsiella aerogenes KCTC 2190
2	C, A, D, B	1,2-ETHANEDIOL	non-polymer		62.1	37	Chemie (EDO)
3	A, D	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	C, A, B, D	PYRIDOXAL-5'-PHOSPHATE	non-polymer		247.1	4	Chemie (PLP)
5	D, C, A, B	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
6		water	water		18.0	1709	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	176409.0
Non-Polymers*	Number of molecules	49
	Total formula weight	3501.8
All*	Total formula weight	179910.8

*Water molecules are not included.