3OBT

Crystal structure of Botulinum neurotoxin serotype D ligand binding domain in complex with N-Acetylneuraminic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Botulinum neurotoxin type D	polymer	434	50320.7	1	UniProt (P19321) Pfam (PF07953) Pfam (PF07951)	Clostridium botulinum	BoNT/D, Bontoxilysin-D, Botulinum neurotoxin D light chain, Botulinum neurotoxin D heavy chain
2	B (A)	N-acetyl-beta-neuraminic acid	non-polymer		309.3	1	Chemie (SLB)
3	C, D, E, F, G... (A)	GLYCEROL	non-polymer		92.1	11	Chemie (GOL)
4	N (A)	water	water		18.0	317	Chemie (HOH)

Sequence modifications

A: 863 - 1276 (UniProt: P19321)

PDB	External Database	Details
Met 856	-	expression tag
Arg 857	-	expression tag
Gly 858	-	expression tag
Ser 859	-	expression tag
Ala 860	-	expression tag
Met 861	-	expression tag
Ala 862	-	expression tag
Pro 1277	-	expression tag
Pro 1278	-	expression tag
Thr 1279	-	expression tag
Pro 1280	-	expression tag
Gly 1281	-	expression tag
Trp 1282	-	expression tag
Ser 1283	-	expression tag
His 1284	-	expression tag
Pro 1285	-	expression tag
Gln 1286	-	expression tag
Phe 1287	-	expression tag
Glu 1288	-	expression tag
Lys 1289	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	50320.7
Non-Polymers*	Number of molecules	12
	Total formula weight	1322.3
All*	Total formula weight	51643.0

*Water molecules are not included.