5I4D

1.75 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Superantigen-like protein	polymer	343	39193.6	2	UniProt (A0A0D6GBT0) Pfam (PF09199) Pfam (PF02876) UniProt (by SIFTS) (Q2G0X7)	Staphylococcus aureus
2	C, D (C, D)	N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose	branched		820.7	2	BIRD (PRD_900122)		Sialyl-Lewis X antigen, alpha anomer
3	E (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
4	F, H (A, B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
5	G (B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
6	I, J (A, B)	water	water		18.0	641	Chemie (HOH)

Sequence modifications

A, B: 31 - 356 (UniProt: A0A0D6GBT0)

PDB	External Database	Details
Met 14	-	initiating methionine
Gly 15	-	expression tag
Ser 16	-	expression tag
Ser 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
His 22	-	expression tag
His 23	-	expression tag
Glu 24	-	expression tag
Asn 25	-	expression tag
Leu 26	-	expression tag
Tyr 27	-	expression tag
Phe 28	-	expression tag
Gln 29	-	expression tag
Gly 30	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	78387.1
Branched	Number of molecules	2
	Total formula weight	1641.5
Non-Polymers*	Number of molecules	4
	Total formula weight	759.8
All*	Total formula weight	80788.4

*Water molecules are not included.