2XHL

Structure of a functional derivative of Clostridium botulinum neurotoxin type B

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 B LIGHT CHAIN	polymer	453	52291.6	1	UniProt (P10844) Pfam (PF01742)	CLOSTRIDIUM BOTULINUM	BONT/B, BONTOXILYSIN-B
2	B (B)	BOTULINUM NEUROTOXIN B HEAVY CHAIN	polymer	433	49759.1	1	UniProt (P10844) Pfam (PF07952)	CLOSTRIDIUM BOTULINUM	BONT/B, BONTOXILYSIN-B
3	C (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	D, E (A, B)	water	water		18.0	31	Chemie (HOH)

Sequence modifications

A: 1 - 437 (UniProt: P10844)

PDB	External Database	Details
Val 438	-	expression tag
Asp 439	-	expression tag
Gly 440	-	expression tag
Ile 441	-	expression tag
Ile 442	-	expression tag
Thr 443	-	expression tag
Ser 444	-	expression tag
Lys 445	-	expression tag
Thr 446	-	expression tag
Lys 447	-	expression tag
Ser 448	-	expression tag
Leu 449	-	expression tag
Ile 450	-	expression tag
Glu 451	-	expression tag
Gly 452	-	expression tag
Arg 453	-	expression tag

B: 461 - 873 (UniProt: P10844)

PDB	External Database	Details
Asn 454	-	expression tag
Lys 455	-	expression tag
Ala 456	-	expression tag
Leu 457	-	expression tag
Asn 458	-	expression tag
Leu 459	-	expression tag
Gln 460	-	expression tag
Leu 874	-	expression tag
Glu 875	-	expression tag
Ala 876	-	expression tag
Leu 877	-	expression tag
Ala 878	-	expression tag
Ser 879	-	expression tag
Gly 880	-	expression tag
His 881	-	expression tag
His 882	-	expression tag
His 883	-	expression tag
His 884	-	expression tag
His 885	-	expression tag
His 886	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	102050.7
Non-Polymers*	Number of molecules	1
	Total formula weight	65.4
All*	Total formula weight	102116.1

*Water molecules are not included.