Structure of PDB 5rvm Chain A Binding Site BS01

Receptor Information
>5rvm Chain A (length=173) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAGEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGG
GVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVG
PNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTV
RTNVYLAVFDKNLYDKLVSSFLE
Ligand information
Ligand IDHBD
InChIInChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
InChIKeyQXSAKPUBHTZHKW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)N)O
ACDLabs 10.04O=C(c1ccc(O)cc1)N
CACTVS 3.341NC(=O)c1ccc(O)cc1
FormulaC7 H7 N O2
Name4-HYDROXYBENZAMIDE
ChEMBLCHEMBL123617
DrugBank
ZINCZINC000000157088
PDB chain5rvm Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5rvm Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Resolution1.03 Å
Binding residue
(original residue number in PDB)		V3 K31 P32 T33 K90
Binding residue
(residue number reindexed from 1)		V6 K34 P35 T36 K93
Annotation score1
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.-
External links
PDB RCSB:5rvm, PDBe:5rvm, PDBj:5rvm
PDBsum5rvm
PubMed33853786
UniProtP0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)

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