Structure of PDB 5sab Chain B Binding Site BS01

Receptor Information
>5sab Chain B (length=348) 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]
AMSLENVAFNVVNKGHFDGQQGEVPVSIINNTVYTKVDGVDVELFENKTT
LPVNVAFELWAKRNIKPVPEVKILNNLGVDIAANTVIWDYKRDAPAHIST
IGVCSMTDIAKKPTETICAPLTVFFDGRVDGQVDLFRNARNGVLITEGSV
KGLQPSVGPKQASLNGVTLIGEAVKTQFNYYKKVDGVVQQLPETYFTQSR
NLQEFKPRSQMEIDFLELAMDEFIERYKLEGYAFEHIVYGDFSHSQLGGL
HLLIGLAKRFKESPFELEDFIPMDSTVKNYFITDAQTGSSKCVCSVIDLL
LDDFVEIIKSQDLSVVSKVVKVTIDYTEISFMLWCKDGHVETFYPKLQ
Ligand information
Ligand IDWJD
InChIInChI=1S/C9H11NO2/c1-12-7-9(11)10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKeyLEQAQBFYCMENLP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1ccccc1NC(COC)=O
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COCC(=O)Nc1ccccc1
FormulaC9 H11 N O2
Name2-methoxy-N-phenylacetamide
ChEMBL
DrugBank
ZINCZINC000000047226
PDB chain5sab Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5sab Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Resolution2.486 Å
Binding residue
(original residue number in PDB)		R135 L151 K181 G184 V186
Binding residue
(residue number reindexed from 1)		R137 L153 K183 G186 V188
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:5sab, PDBe:5sab, PDBj:5sab
PDBsum5sab
PubMed37115000
UniProtP0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)

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