5BQN

Crystal structure of the LHn fragment of botulinum neurotoxin type D, mutant H233Y E230Q

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Botulinum neurotoxin type D,Botulinum neurotoxin type D	polymer	885	101855.6	1	UniProt (P19321) Pfam (PF01742) Pfam (PF07952) In PDB	Clostridium botulinum	BoNT/D,Bontoxilysin-D,BoNT/D,Bontoxilysin-D
2	A	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
3		water	water		18.0	197	Chemie (HOH)

Sequence modifications

A: 1 - 437 (UniProt: P19321)

PDB	External Database	Details
Gln 230	Glu 230	conflict
Tyr 233	His 233	conflict

A: 460 - 872 (UniProt: P19321)

PDB	External Database	Details
Val 438	-	linker
Asp 439	-	linker
Lys 440	-	linker
Ser 441	-	linker
Glu 442	-	linker
Glu 443	-	linker
Lys 444	-	linker
Leu 445	-	linker
Tyr 446	-	linker
Asp 447	-	linker
Asp 448	-	linker
Asp 449	-	linker
Asp 450	-	linker
Lys 451	-	linker
Asp 452	-	linker
Arg 453	-	linker
Trp 454	-	linker
Gly 455	-	linker
Ser 456	-	linker
Ser 457	-	linker
Leu 458	-	linker
Gln 459	-	linker
Leu 873	-	expression tag
Glu 874	-	expression tag
Ala 875	-	expression tag
His 876	-	expression tag
His 877	-	expression tag
His 878	-	expression tag
His 879	-	expression tag
His 880	-	expression tag
His 881	-	expression tag
His 882	-	expression tag
His 883	-	expression tag
His 884	-	expression tag
His 885	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	101855.6
Non-Polymers*	Number of molecules	1
	Total formula weight	238.3
All*	Total formula weight	102093.9

*Water molecules are not included.