4LQ3

Crystal structure of human norovirus RNA-dependent RNA-polymerase bound to the inhibitor PPNDS

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	RNA-dependent RNA-polymerase	polymer	526	58657.8	1	UniProt (Q2N379) Pfam (PF00680)	Norovirus
2	B (R)	5'-R(P*GP*G)-3'	polymer	2	645.5	1
3	C, D, E, F (A)	3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid	non-polymer		606.4	4	Chemie (20V)
4	G (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	H, I (A, R)	water	water		18.0	132	Chemie (HOH)

Sequence modifications

A: 3 - 510 (UniProt: Q2N379)

PDB	External Database	Details
Met 0	-	expression tag
Gly 1	-	expression tag
Gly 2	-	expression tag
Gly 153	Glu 153	conflict
Val 511	-	expression tag
Asp 512	-	expression tag
Lys 513	-	expression tag
Leu 514	-	expression tag
Ala 515	-	expression tag
Ala 516	-	expression tag
Ala 517	-	expression tag
Leu 518	-	expression tag
Glu 519	-	expression tag
His 520	-	expression tag
His 521	-	expression tag
His 522	-	expression tag
His 523	-	expression tag
His 524	-	expression tag
His 525	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	59303.2
Non-Polymers*	Number of molecules	5
	Total formula weight	2450.0
All*	Total formula weight	61753.3

*Water molecules are not included.