3UPF: Murine norovirus RNA-dependent RNA polymerase

Crystal structure of murine norovirus RNA-dependent RNA polymerase bound to NF023. Determined by X-ray diffraction at 2.6 Å resolution. Released 2 May 2012.

Method
X-ray diffraction
Resolution
2.6 Å
Organism
Murine norovirus 1
Chains
3
Atoms
12,242
Mol. weight
182.37 kDa
Ligands
0BU
Released
2 May 2012

Explore 3UPF in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3UPF contains 81 α-helices and 78 β-strands across 3 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 26 helices, 28 β-strands

ElementResiduesLengthSheet
β-strand8-921
β-strand12-1321
β-strand14-1742
α-helix20-245
β-strand27-3153
α-helix36-383
β-strand43-4424
α-helix45-462
α-helix59-679
α-helix68-703
α-helix73-742
α-helix76-794
α-helix80-9718
α-helix98-1003
α-helix102-1054
α-helix106-1127
β-strand11815
β-strand12615
α-helix127-1304
β-strand13116
β-strand13616
α-helix138-15215
β-strand160-16562
β-strand169-17024
α-helix172-1743
β-strand183-18642
α-helix189-20820
β-strand21517
α-helix225-2328
β-strand237-23937
β-strand24418
α-helix252-26413
α-helix269-28012
β-strand283-28642
β-strand290-29452
α-helix305-32521
α-helix329-3346
β-strand336-34167
β-strand344-34967
α-helix355-36410
β-strand36818
β-strand38217
β-strand38619
β-strand38819
β-strand389-390210
β-strand393-398610
β-strand401-406610
α-helix408-4169
β-strand417-42373
β-strand42913
α-helix4301
α-helix440-4489
α-helix452-46312
α-helix478-48710
Chain B: 27 helices, 24 β-strands
ElementResiduesLengthSheet
β-strand8-9211
β-strand12-13211
β-strand14-17412
α-helix20-245
β-strand27-31513
α-helix36-383
β-strand43-44214
α-helix45-462
α-helix59-679
α-helix68-703
α-helix73-742
α-helix76-794
α-helix80-9718
α-helix99-1002
α-helix102-1054
α-helix106-1127
β-strand118115
β-strand126115
α-helix127-1304
β-strand131116
β-strand136116
α-helix138-15215
β-strand160-165612
β-strand169-170214
α-helix173-1764
β-strand183-186412
α-helix189-20820
β-strand215117
α-helix221-23212
β-strand237-239317
α-helix246-2494
α-helix252-26413
α-helix269-28012
β-strand283-286412
β-strand290-294512
α-helix305-32521
α-helix329-3346
β-strand336-341617
β-strand344-349617
α-helix355-36410
α-helix378-3803
β-strand382117
β-strand389-390218
β-strand393-398618
β-strand401-406618
α-helix408-4169
β-strand417-423713
β-strand429113
α-helix437-44812
α-helix452-46615
α-helix478-4869
Chain C: 28 helices, 26 β-strands
ElementResiduesLengthSheet
β-strand8-9219
β-strand12-13219
β-strand14-17420
α-helix20-245
β-strand27-31521
α-helix36-383
β-strand43-44222
α-helix45-462
α-helix59-679
α-helix68-714
α-helix73-742
α-helix76-783
α-helix80-9516
α-helix99-1002
α-helix102-1054
α-helix106-1127
β-strand118123
β-strand126123
α-helix127-1304
β-strand131124
β-strand136124
α-helix138-15215
β-strand161-165520
β-strand169-170222
α-helix173-1764
β-strand183-186420
α-helix189-20719
β-strand215125
α-helix221-23212
β-strand237-239325
β-strand243126
α-helix247-2493
α-helix252-26413
α-helix269-28012
β-strand283-286420
β-strand290-294520
α-helix306-32520
α-helix329-3346
β-strand336-341625
β-strand344-349625
α-helix355-36410
β-strand369126
α-helix378-3803
β-strand382125
β-strand389-390227
β-strand393-398627
β-strand401-406627
α-helix408-4169
β-strand417-423721
β-strand429121
α-helix4301
α-helix437-44812
α-helix452-46413
α-helix478-4869

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
RNA-dependent RNA polymeraseA, B, Cprotein525Murine norovirus 1Q80J95 (AlphaFold model)
Sequence of entity 1 (A, B, C), FASTA
>3UPF_1 RNA-dependent RNA polymerase (chains A, B, C)
MKALEFQGPPMLPRPSGTYAGLPIADYGDAPPLSTKTMFWRTSPEKLPPGAWEPAYLGSK
DERVDGPSLQQVMRDQLKPYSEPRGLLPPQEILDAVCDAIENRLENTLEPQKPWTFKKAC
ESLDKNTSSGYPYHKQKSKDWTGSAFIGDLGDQATHANNMYEMGKSMRPIYTAALKDELV
KPDKIYGKIKKRLLWGSDLGTMIRAARAFGPFCDALKETCIFNPIRVGMSMNEDGPFIFA
RHANFRYHMDADYTRWDSTQQRAILKRAGDIMVRLSPEPDLARVVMDDLLAPSLLDVGDY
KIVVEEGLPSGCPCTTQLNSLAHWILTLCAMVEVTRVDPDIVMQESEFSFYGDDEVVSTN
LELDMVKYTMALRRYGLLPTRADKEEGPLERRQTLQGISFLRRAIVGDQFGWYGRLDRAS
IDRQLLWTKGPNHQNPFETLPGHAQRPSQLMALLGEAAMHGEKYYRTVASRVSKEAAQSG
IEMVVPRHRSVLRWVRFGTMDAETPQERSAVFVNEDELEHHHHHH

Ligands and cofactors

IDNameFormulaCopies
0BU8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]ben…C35 H26 N4 O21 S63

Water and common crystallization additives (SO4) are not listed.

Primary citation

Structure-Based Inhibition of Norovirus RNA-Dependent RNA Polymerases. Mastrangelo, E., Pezzullo, M., Tarantino, D. et al. J Mol Biol (2012) 419:198-210. DOI 10.1016/j.jmb.2012.03.008 · PubMed

Other PDB entries of the same protein (UniProt Q80J95 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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