3ESS

Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with the 1,8-Naphthalimide inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cholix toxin	polymer	230	25552.2	1	UniProt (Q5EK40) Pfam (PF09009)	Vibrio cholerae
2	B (A)	1H-benzo[de]isoquinoline-1,3(2H)-dione	non-polymer		197.2	1	Chemie (18N)
3	C (A)	water	water		18.0	435	Chemie (HOH)

Sequence modifications

A: 427 - 633 (UniProt: Q5EK40)

PDB	External Database	Details
Met 404	-	expression tag
Gly 405	-	expression tag
Ser 406	-	expression tag
Ser 407	-	expression tag
His 408	-	expression tag
His 409	-	expression tag
His 410	-	expression tag
His 411	-	expression tag
His 412	-	expression tag
His 413	-	expression tag
Ser 414	-	expression tag
Ser 415	-	expression tag
Gly 416	-	expression tag
Glu 417	-	expression tag
Asn 418	-	expression tag
Leu 419	-	expression tag
Tyr 420	-	expression tag
Phe 421	-	expression tag
Gln 422	-	expression tag
Gly 423	-	expression tag
Ser 424	-	expression tag
His 425	-	expression tag
Met 426	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	25552.2
Non-Polymers*	Number of molecules	1
	Total formula weight	197.2
All*	Total formula weight	25749.4

*Water molecules are not included.