Structure of PDB 1wof Chain A

Receptor sequence

>1wofA (length=309)

PLGSSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTA
EDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNP
KTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSCG
SVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGT
DTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDH
VDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDV
VRQCSGVTF

3D structure

• PDB: 1wof Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
• Chain: A
• Resolution: 2.0 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H41 G143 C145
• Catalytic site (residue number reindexed from 1): H45 G147 C149
• Enzyme Commision number: 2.1.1.-
  2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
  2.1.1.57: methyltransferase cap1.
  2.7.7.48: RNA-directed RNA polymerase.
  2.7.7.50: mRNA guanylyltransferase.
  3.1.13.-
  3.4.19.12: ubiquitinyl hydrolase 1.
  3.4.22.-
  3.4.22.69: SARS coronavirus main proteinase.
  3.6.4.12: DNA helicase.
  3.6.4.13: RNA helicase.
  4.6.1.-

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	I12	A	T26 H41 M49 F140 G143 C145 H163 H164 M165 E166 P168 D187 R188 Q189 T190 A191 Q192	T30 H45 M53 F144 G147 C149 H167 H168 M169 E170 P172 D191 R192 Q193 T194 A195 Q196	BindingDB: IC50=10700nM,Ki=10700nM

Gene Ontology

Molecular Function

• GO:0008233 peptidase activity

Biological Process

• GO:0019082 viral protein processing

External links

• PDB: RCSB:1wof, PDBe:1wof, PDBj:1wof
• PDBsum: 1wof
• PubMed: 16128623
• UniProt: P0C6X7|R1AB_SARS Replicase polyprotein 1ab (Gene Name=rep)