4RGT

2.0 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with 3-N-Acetylneuraminyl-N-acetyllactosamine.

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	218	25661.1	2	UniProt (Q2G1S5) 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)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		674.6	2	In PDB BIRD (PRD_900067) GlyTouCan (G00065MO)		3'-sialyl-N-acetyllactosamine
3	E (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
4	F, G (A, B)	water	water		18.0	247	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	51322.2
Branched	Number of molecules	2
	Total formula weight	1349.2
Non-Polymers*	Number of molecules	1
	Total formula weight	106.1
All*	Total formula weight	52777.6

*Water molecules are not included.