9UG5

Crystal structure of HA3 from Clostridium botulinum type B with alpha2,3-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 (A, B, C)	HA3	polymer	632	71795.8	3	UniProt (Q33CP8) Pfam (PF03505) Pfam (PF17993)	Clostridium botulinum B1 str. Okra
2	D, E (D, E)	N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose	branched		633.6	2	In PDB BIRD (PRD_900025) GlyTouCan (G92323ZH)
3	F, G, H (A, B, C)	water	water		18.0	16	Chemie (HOH)

Sequence modifications

A, B, C: 19 - 626 (UniProt: Q33CP8)

PDB	External Database	Details
Met -5	-	initiating methionine
Ala -4	-	expression tag
Ser -3	-	expression tag
Trp -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Pro 1	-	expression tag
Gln 2	-	expression tag
Phe 3	-	expression tag
Glu 4	-	expression tag
Lys 5	-	expression tag
Gly 6	-	expression tag
Ala 7	-	expression tag
Leu 8	-	expression tag
Glu 9	-	expression tag
Val 10	-	expression tag
Leu 11	-	expression tag
Phe 12	-	expression tag
Gln 13	-	expression tag
Gly 14	-	expression tag
Pro 15	-	expression tag
Gly 16	-	expression tag
Tyr 17	-	expression tag
Gln 18	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	215387.5
Branched	Number of molecules	2
	Total formula weight	1267.1
All*	Total formula weight	216654.6

*Water molecules are not included.