3IAF

Structure of benzaldehyde lyase A28S mutant with monomethyl 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, C, D (A, B, C, D)	Benzaldehyde lyase	polymer	570	59974.0	4	UniProt (Q9F4L3) Pfam (PF02776) Pfam (PF00205) Pfam (PF02775)	Pseudomonas fluorescens
2	E, G, I, K (A, B, C, D)	THIAMINE DIPHOSPHATE	non-polymer		425.3	4	Chemie (TPP)
3	F, H, J, L (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	M, N, O, P (A, B, C, D)	water	water		18.0	182	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Sep 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	4
	Total formula weight	239896.1
Non-Polymers*	Number of molecules	8
	Total formula weight	1798.5
All*	Total formula weight	241694.6

*Water molecules are not included.