4RCO

1.9 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)	Putative uncharacterized protein	polymer	295	33174.6	2	UniProt (Q2G1S8) Pfam (PF09199) Pfam (PF02876)	Staphylococcus aureus subsp. 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	In PDB BIRD (PRD_900122) GlyTouCan (G07675NG)		Sialyl-Lewis X antigen, alpha anomer
3	E, F, G (A, B)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	H, I (A, B)	water	water		18.0	465	Chemie (HOH)

Sequence modifications

A, B: 31 - 308 (UniProt: Q2G1S8)

PDB	External Database	Details
Met -16	-	expression tag
Gly -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66349.2
Branched	Number of molecules	2
	Total formula weight	1641.5
Non-Polymers*	Number of molecules	3
	Total formula weight	106.4
All*	Total formula weight	68097.0

*Water molecules are not included.