4QQ8

Crystal structure of the formolase FLS in space group P 43 21 2

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	Formolase	polymer	583	61442.7	4	UniProt (Q9F4L3) Pfam (PF02776) Pfam (PF00205) Pfam (PF02775) In PDB	Pseudomonas fluorescens	Benzaldehyde lyase
2	A, B, C, D	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
3	A, B, C, D	THIAMINE DIPHOSPHATE	non-polymer		425.3	4	Chemie (TPP)
4	A, C, D	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
5		water	water		18.0	50	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 563 (UniProt: Q9F4L3)

PDB	External Database	Details
Ile 28	Ala 28	conflict
Arg 89	Trp 89	conflict
Thr 90	Leu 90	conflict
His 188	Arg 188	conflict
Gly 394	Ala 394	conflict
Asn 419	Gly 419	conflict
Trp 480	Ala 480	conflict
Gly 564	-	expression tag
Ser 565	-	expression tag
Thr 566	-	expression tag
Glu 567	-	expression tag
Asn 568	-	expression tag
Leu 569	-	expression tag
Tyr 570	-	expression tag
Phe 571	-	expression tag
Gln 572	-	expression tag
Ser 573	-	expression tag
Gly 574	-	expression tag
Ala 575	-	expression tag
Leu 576	-	expression tag
Glu 577	-	expression tag
His 578	-	expression tag
His 579	-	expression tag
His 580	-	expression tag
His 581	-	expression tag
His 582	-	expression tag
His 583	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	245770.7
Non-Polymers*	Number of molecules	12
	Total formula weight	2046.7
All*	Total formula weight	247817.5

*Water molecules are not included.