5EUD

S1P Lyase Bacterial Surrogate bound to N-(1-(4-(3-hydroxyprop-1-yn-1-yl)phenyl)-2-((4-methoxy-2,5-dimethylbenzyl)amino)ethyl)-5-methylisoxazole-3-carboxamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Putative sphingosine-1-phosphate lyase	polymer	514	55741.0	2	UniProt (Q67PY4) Pfam (PF00282) In PDB	Symbiobacterium thermophilum (strain T / IAM 14863)
2	A, B	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
3	A	~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide	non-polymer		447.5	2	Chemie (5S6)
4		water	water		18.0	423	Chemie (HOH)

Sequence modifications

A, B: 2 - 507 (UniProt: Q67PY4)

PDB	External Database	Details
Met 0	-	initiating methionine
Pro 1	-	expression tag
Phe 249	Tyr 249	engineered mutation
Ile 344	Leu 344	engineered mutation
Ala 346	Phe 346	engineered mutation
Ser 497	Leu 497	engineered mutation
His 508	-	expression tag
His 509	-	expression tag
His 510	-	expression tag
His 511	-	expression tag
His 512	-	expression tag
His 513	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	111482.1
Non-Polymers*	Number of molecules	4
	Total formula weight	1085.0
All*	Total formula weight	112567.1

*Water molecules are not included.