4M0W: SARS-CoV papain-like protease C112S mutant

Crystal Structure of SARS-CoV papain-like protease C112S mutant in complex with ubiquitin. Determined by X-ray diffraction at 1.4 Å resolution. Released 12 Feb 2014.

Method
X-ray diffraction
Resolution
1.4 Å
Organisms
SARS coronavirus, Bos taurus
Chains
2
Atoms
3,535
Mol. weight
46.21 kDa
Ligands
NHE, ZN
Released
12 Feb 2014

Explore 4M0W in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4M0W contains 14 α-helices and 30 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: 11 helices, 22 β-strands

ElementResiduesLengthSheet
β-strand5-1171
β-strand18-2361
α-helix28-314
β-strand35-3731
β-strand40-4121
α-helix49-513
β-strand55-5841
α-helix63-7311
α-helix80-9112
β-strand98-9922
β-strand102-10322
α-helix112-12110
β-strand12813
α-helix131-14111
α-helix146-15611
β-strand16414
α-helix166-1749
β-strand17713
β-strand183-19085
β-strand194-20185
α-helix202-2054
β-strand207-20934
α-helix214-2196
β-strand221-22445
β-strand230-239105
β-strand242-255144
β-strand261-26774
β-strand272-27984
β-strand283-28754
β-strand290-29454
β-strand296-307124
β-strand310-31235
α-helix315-3184
Chain B: 3 helices, 8 β-strands
ElementResiduesLengthSheet
β-strand2-656
β-strand12-1656
β-strand2217
α-helix23-3412
β-strand41-4556
β-strand48-4926
α-helix501
β-strand5517
α-helix57-593
β-strand66-7166
β-strand7514

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Replicase polyprotein 1aAprotein327SARS coronavirusP0C6U8
UbiquitinBprotein76Bos taurusP62992 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>4M0W_1 Replicase polyprotein 1a (chains A)
MEVKTIKVFTTVDNTNLHTQLVDMSMTYGQQFGPTYLDGADVTKIKPHVNHEGKTFFVLP
SDDTLRSEAFEYYHTLDESFLGRYMSALNHTKKWKFPQVGGLTSIKWADNNSYLSSVLLA
LQQLEVKFNAPALQEAYYRARAGDAANFCALILAYSNKTVGELGDVRETMTHLLQHANLE
SAKRVLNVVCKHCGQKTTTLTGVEAVMYMGTLSYDNLKTGVSIPCVCGRDATQYLVQQES
SFVMMSAPPAEYKLQQGTFLCANEYTGNYQCGHYTHITAKETLYRIDGAHLTKMSEYKGP
VTDVFYKETSYTTTIKPVSLEHHHHHH
Sequence of entity 2 (B), FASTA
>4M0W_2 Ubiquitin (chains B)
MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYN
IQKESTLHLVLRLRGG

Ligands and cofactors

IDNameFormulaCopies
NHE2-[N-cyclohexylamino]ethane sulfonic acidC8 H17 N O3 S2
ZNZinc ionZn1

Water and common crystallization additives (GOL, NA) are not listed.

Primary citation

Structural basis for catalysis and ubiquitin recognition by the severe acute respiratory syndrome coronavirus papain-like protease. Chou, C.-Y., Lai, H.-Y., Chen, H.-Y. et al. Acta Crystallogr D Biol Crystallogr (2014) 70:572-581. DOI 10.1107/S1399004713031040 · PubMed

Other PDB entries of the same protein (UniProt P0C6U8), best resolution first:

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