3RLG

Crystal structure of Loxosceles intermedia phospholipase D isoform 1 H12A mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Sphingomyelin phosphodiesterase D LiSicTox-alphaIA1a	polymer	302	33672.6	1	UniProt (P0CE80) Pfam (PF13653)	Loxosceles intermedia (Spider)	Dermonecrotic protein 1, LiRecDT1, Sphingomyelin phosphodiesterase D 1, SMD 1, SMase D 1, Sphingomyelinase D 1
2	B (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	C, F, G, J (A)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
4	D, I (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
5	E, H (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
6	K (A)	water	water		18.0	238	Chemie (HOH)

Sequence modifications

A: 2 - 285 (UniProt: P0CE80)

PDB	External Database	Details
Met -21	-	expression tag
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Leu -8	-	expression tag
Val -7	-	expression tag
Pro -6	-	expression tag
Arg -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
His -2	-	expression tag
Met -1	-	expression tag
Leu 0	-	expression tag
Glu 1	-	expression tag
Ala 12	His 38	engineered mutation
Asp 277	Glu 298	cloning artifact

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33672.6
Non-Polymers*	Number of molecules	9
	Total formula weight	785.2
All*	Total formula weight	34457.8

*Water molecules are not included.