Structure of PDB 7jkv Chain A

Receptor sequence
>7jkvA (length=301) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2) [Search protein sequence]
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDML
NPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPK
YKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGF
NIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTI
TVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDIL
GPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQC
S
3D structure
PDB7jkv A small molecule compound with an indole moiety inhibits the main protease of SARS-CoV-2 and blocks virus replication.
ChainA
Resolution1.25 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 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 V7G A T25 H41 M49 F140 L141 N142 S144 C145 H163 H164 M165 E166 P168 Q189 T190 A191 T25 H41 M49 F140 L141 N142 S144 C145 H163 H164 M165 E166 P168 Q189 T190 A191 BindingDB: EC50=4200nM,Ki=18nM
Gene Ontology
Molecular Function
GO:0008233 peptidase activity
Biological Process
GO:0019082 viral protein processing

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Molecular Function
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Biological Process
External links
PDB RCSB:7jkv, PDBe:7jkv, PDBj:7jkv
PDBsum7jkv
PubMed33510133
UniProtP0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)

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