3D7K

Crystal structure of benzaldehyde lyase in complex with the inhibitor MBP

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	59878.1	2	UniProt (Q9F4L3) Pfam (PF02776) Pfam (PF00205) Pfam (PF02775) In PDB	Pseudomonas fluorescens
2	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	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)
4		water	water		18.0	175	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	119756.1
Non-Polymers*	Number of molecules	4
	Total formula weight	1331.0
All*	Total formula weight	121087.2

*Water molecules are not included.