3S6X

Structure of reovirus attachment protein sigma1 in complex with alpha-2,3-sialyllactose

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	Outer capsid protein sigma-1	polymer	325	35360.8	3	UniProt (P03528) Pfam (PF01664) In PDB	Reovirus type 3 (Mammalian orthoreovirus 3)	Sigma1, Cell attachment protein, Hemagglutinin
2	D, E, F	N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose	branched		633.6	3	In PDB GlyTouCan (G91237TK)
3		water	water		18.0	812	Chemie (HOH)

Sequence modifications

A, B, C: 170 - 455 (UniProt: P03528)

PDB	External Database	Details
Gln 131	-	expression tag
Ile 132	-	expression tag
Glu 133	-	expression tag
Asp 134	-	expression tag
Lys 135	-	expression tag
Ile 136	-	expression tag
Glu 137	-	expression tag
Glu 138	-	expression tag
Ile 139	-	expression tag
Leu 140	-	expression tag
Ser 141	-	expression tag
Lys 142	-	expression tag
Ile 143	-	expression tag
Tyr 144	-	expression tag
His 145	-	expression tag
Ile 146	-	expression tag
Glu 147	-	expression tag
Asn 148	-	expression tag
Glu 149	-	expression tag
Ile 150	-	expression tag
Ala 151	-	expression tag
Arg 152	-	expression tag
Ile 153	-	expression tag
Lys 154	-	expression tag
Lys 155	-	expression tag
Leu 156	-	expression tag
Ile 157	-	expression tag
Gly 158	-	expression tag
Glu 159	-	expression tag
Gly 160	-	expression tag
Ser 161	-	expression tag
Gly 162	-	expression tag
Arg 163	-	expression tag
Pro 164	-	expression tag
Val 165	-	expression tag
Leu 166	-	expression tag
Asn 167	-	expression tag
Gln 168	-	expression tag
Gly 169	-	expression tag
Ile 249	Thr 249	engineered mutation
Thr 408	Ala 408	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	106082.3
Branched	Number of molecules	3
	Total formula weight	1900.7
All*	Total formula weight	107983.0

*Water molecules are not included.