9NFU

CryoEM Structure of De Novo Antibody Fragment scFv 6 with C. difficile Toxin B (TcdB)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Toxin B	polymer	2119	241229.9	1	UniProt (P18177)	Clostridioides difficile
2	B (C)	scFv 6 Heavy Chain, scFv 6 Light Chain	polymer	278	30211.6	1		synthetic construct

Sequence modifications

A: 1 - 2099 (UniProt: P18177)

PDB	External Database	Details
Met -1	-	initiating methionine
Tyr 0	-	expression tag
Ala 102	Trp 102	conflict
Asn 286	Asp 286	conflict
Asn 288	Asp 288	conflict
Ala 543	Leu 543	conflict
Gly 2100	-	expression tag
Tyr 2101	-	expression tag
Arg 2102	-	expression tag
Pro 2103	-	expression tag
His 2104	-	expression tag
Ala 2105	-	expression tag
Gly 2106	-	expression tag
Leu 2107	-	expression tag
Arg 2108	-	expression tag
Gly 2109	-	expression tag
Ser 2110	-	expression tag
His 2111	-	expression tag
His 2112	-	expression tag
His 2113	-	expression tag
His 2114	-	expression tag
His 2115	-	expression tag
His 2116	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	271441.5
All*	Total formula weight	271441.5

*Water molecules are not included.