6X6V

Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile in complex with NADPH

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, D (A, B, C, D)	CdtA	polymer	429	49536.8	4	UniProt (F5B5W8) UniProt (by SIFTS) (Q9KH42)	Clostridioides difficile
2	E, F, G, H (A, B, C, D)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	4	Chemie (NDP)
3	I, J, K, L (A, B, C, D)	water	water		18.0	637	Chemie (HOH)

Sequence modifications

A, B, C, D: 3 - 420 (UniProt: F5B5W8)

PDB	External Database	Details
Met 0	-	initiating methionine
Val 1	-	expression tag
Ala 2	-	expression tag
Phe 345	Ser 388	conflict
Gln 385	Glu 428	conflict
Gln 387	Glu 430	conflict
Leu 421	-	expression tag
Glu 422	-	expression tag
His 423	-	expression tag
His 424	-	expression tag
His 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag
His 428	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	198147.1
Non-Polymers*	Number of molecules	4
	Total formula weight	2981.7
All*	Total formula weight	201128.7

*Water molecules are not included.