5J47

The X-ray structure of Inhibitor Bound to JCV Helicase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Large T antigen	polymer	372	42389.0	1	UniProt (P03072) Pfam (PF06431) In PDB	JC polyomavirus (JCPyV)	LT-AG
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
4	A	6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole	non-polymer		294.3	1	Chemie (6JJ)
5		water	water		18.0	350	Chemie (HOH)

Sequence modifications

A: 261 - 628 (UniProt: P03072)

PDB	External Database	Details
Gly 257	-	expression tag
Ser 258	-	expression tag
His 259	-	expression tag
Met 260	-	expression tag
Asp 280	Glu 280	engineered mutation
Asn 295	Asp 295	engineered mutation
Ala 299	Asn 299	engineered mutation
Ala 301	Gln 301	engineered mutation
Ala 302	Gln 302	engineered mutation
Ala 304	Lys 304	engineered mutation
Ala 305	Lys 305	engineered mutation
Ala 307	Glu 307	engineered mutation
Ala 308	Lys 308	engineered mutation
Ala 309	Lys 309	engineered mutation
Leu 354	Ile 354	engineered mutation
Glu 408	Asp 408	engineered mutation
Ala 624	Arg 624	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42389.0
Non-Polymers*	Number of molecules	3
	Total formula weight	555.0
All*	Total formula weight	42944.0

*Water molecules are not included.