3IAE

Structure of benzaldehyde lyase A28S mutant with benzoylphosphonate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Benzaldehyde lyase	polymer	570	59894.1	2	UniProt (Q9F4L3) Pfam (PF02776) Pfam (PF00205) Pfam (PF02775) In PDB	Pseudomonas fluorescens
2	A, B	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium	non-polymer		625.4	2	Chemie (D7K)
3	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4		water	water		18.0	210	Chemie (HOH)

Sequence modifications

A, B: 1 - 562 (UniProt: Q9F4L3)

PDB	External Database	Details
Ser 28	Ala 28	engineered mutation
Gly 563	-	expression tag
Ser 564	-	expression tag
His 565	-	expression tag
His 566	-	expression tag
His 567	-	expression tag
His 568	-	expression tag
His 569	-	expression tag
His 570	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	119788.1
Non-Polymers*	Number of molecules	4
	Total formula weight	1331.0
All*	Total formula weight	121119.2

*Water molecules are not included.