2Z8L

Crystal Structure of the Staphylococcal superantigen-like protein SSL5 at pH 4.6 complexed 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 (A)	Exotoxin 3	polymer	208	24513.1	1	UniProt (Q9ZFS6) Pfam (PF09199) Pfam (PF02876)	Staphylococcus aureus	superantigen-like protein SSL5
2	B (B)	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	1	In PDB BIRD (PRD_900121) GlyTouCan (G00054MO)		Sialyl-Lewis X antigen, beta anomer
3	C (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
4	D (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	E (A)	water	water		18.0	111	Chemie (HOH)

Sequence modifications

A: 1 - 204 (UniProt: Q9ZFS6)

PDB	External Database	Details
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Lys 4	Glu 34	SEE REMARK 999
Ala 5	Ser 35	SEE REMARK 999
Gly 23	Arg 53	SEE REMARK 999
His 49	Asn 79	SEE REMARK 999
Gln 50	Arg 80	SEE REMARK 999
Leu 65	Ile 95	SEE REMARK 999
Thr 67	Lys 97	SEE REMARK 999
Phe 89	Tyr 119	SEE REMARK 999
Asn 107	Ser 137	SEE REMARK 999
Lys 110	Arg 140	SEE REMARK 999
Asp 118	Gly 148	SEE REMARK 999
Tyr 122	Ser 152	SEE REMARK 999
Thr 123	Val 153	SEE REMARK 999
His 128	Tyr 158	SEE REMARK 999
Val 135	Ile 165	SEE REMARK 999
Asn 151	Asp 181	SEE REMARK 999
Asp 161	Ala 191	SEE REMARK 999
Ile 167	Thr 197	SEE REMARK 999
Pro 184	Thr 214	SEE REMARK 999
His 185	Asn 215	SEE REMARK 999
Met 199	Ile 229	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	24513.1
Branched	Number of molecules	1
	Total formula weight	820.7
Non-Polymers*	Number of molecules	2
	Total formula weight	187.1
All*	Total formula weight	25520.9

*Water molecules are not included.