5V6A: MERS-CoV PLpro

Crystal structure of the Middle East respiratory syndrome coronavirus papain-like protease bound to ubiquitin variant ME.2. Determined by X-ray diffraction at 2.7 Å resolution. Released 10 May 2017.

Method
X-ray diffraction
Resolution
2.7 Å
Organisms
Human betacoronavirus 2c EMC/2012, Homo sapiens
Chains
2
Atoms
3,027
Mol. weight
48.92 kDa
Ligands
ZN, FLC
Released
10 May 2017

Explore 5V6A in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5V6A contains 18 α-helices and 29 β-strands across 2 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: 13 helices, 21 β-strands

ElementResiduesLengthSheet
β-strand1484-149071
β-strand1497-150261
α-helix1507-15104
β-strand1514-151521
β-strand152011
α-helix1525-15273
α-helix1528-15303
β-strand1534-153741
α-helix1543-155311
α-helix1560-157112
β-strand1576-157942
β-strand1582-158542
α-helix1586-15872
α-helix1592-160110
β-strand1607-160933
α-helix1612-162110
α-helix1627-163610
α-helix1639-16402
α-helix1647-16559
β-strand1658-166033
β-strand1665-167284
β-strand1676-168384
α-helix1684-16874
β-strand1689-169135
α-helix1696-16994
β-strand1703-170644
β-strand1712-1722114
β-strand1725-1737135
β-strand1746-175165
β-strand1759-176685
β-strand1769-177465
β-strand1777-178155
β-strand1783-1793115
β-strand1796-179944
Chain B: 5 helices, 8 β-strands
ElementResiduesLengthSheet
β-strand2-546
β-strand13-1646
β-strand2217
α-helix23-319
α-helix38-403
β-strand41-4558
β-strand48-4928
α-helix50-512
β-strand5517
β-strand66-6726
β-strand68-7148
α-helix721
α-helix741

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
MERS-CoV PLproAprotein324Human betacoronavirus 2c EMC/2012K0BWD0 (AlphaFold model)
ME.2Bprotein104Homo sapiens
Sequence of entity 1 (A), FASTA
>5V6A_1 MERS-CoV PLpro (chains A)
TQQLTIEVLVTVDGVNFRTVVLNNKNTYRSQLGCVFFNGADISDTIPDEKQNGHSLYLAD
NLTADETKALKELYGPVDPTFLHRFYSLKAAVHGWKMVVCDKVRSLKLSDNNCYLNAVIM
TLDLLKDIKFVIPALQHAFMKHKGGDSTDFIALIMAYGNCTFGAPDDASRLLHTVLAKAE
LCCSARMVWREWCNVCGIKDVVLQGLKACCYVGVQTVEDLRARMTYVCQCGGERHRQLVE
HTTPWLLLSGTPNEKLVTTSTAPDFVAFNVFQGIETAVGHYVHARLKGGLILKFDSGTVS
KTSDWKCKVTDVLFPGQKYSSDCN
Sequence of entity 2 (B), FASTA
>5V6A_2 ME.2 (chains B)
MAHHHHHHVTSLYKKAGSTDYKDDDDKMRIFVETLRRLTITLEVEPSDTIENVKAKIQDK
EGIPPDQQRLIFFGQQLEDGRTLSDYNIVKYSTLHLILRLPRWN

Ligands and cofactors

IDNameFormulaCopies
ZNZinc ionZn1
FLCCitrate anionC6 H5 O72

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

Primary citation

Potent and selective inhibition of pathogenic viruses by engineered ubiquitin variants. Zhang, W., Bailey-Elkin, B.A., Knaap, R.C.M. et al. PLoS Pathog (2017) 13:e1006372-e1006372. DOI 10.1371/journal.ppat.1006372 · PubMed

Other PDB entries of the same protein (UniProt K0BWD0 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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