4RFB

1.93 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with Sialyl-Lewis X.

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 (A, B, C, D)	Putative uncharacterized protein	polymer	218	25661.1	4	UniProt (Q2G1S5) Pfam (PF09199) Pfam (PF02876)	Staphylococcus aureus subsp. aureus
2	E, F, G, H (E, F, G, H)	N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		820.7	4	In PDB BIRD (PRD_900121) GlyTouCan (G00054MO)		Sialyl-Lewis X antigen, beta anomer
3	I, J, L, M, O... (A, B, C, D)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
4	K, P, Q (A, C)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
5	N (B)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
6	S (D)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7	T, U, V, W (A, B, C, D)	water	water		18.0	471	Chemie (HOH)

Sequence modifications

A, B, C, D: 31 - 231 (UniProt: Q2G1S5)

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	4
	Total formula weight	102644.5
Branched	Number of molecules	4
	Total formula weight	3283.0
Non-Polymers*	Number of molecules	11
	Total formula weight	743.3
All*	Total formula weight	106670.8

*Water molecules are not included.