Structure of PDB 5slf Chain D Binding Site BS05

Receptor Information
>5slf Chain D (length=461) 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]
PTHLSVDTKFKTEGLCVDIPGIPKDMTYRRLISMMGFKMNYQVNGYPNMF
ITREEAIRHVRAWIGFDVEGCHATGTNLPLQLGFSTGVNLVAVPTPLMYK
GLPWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPER
TCCLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQS
NHDLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKI
NAACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQP
CSDKAYKIEELFYSYHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLS
NLNLPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGI
DYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQ
FDTYNLWNTFT
Ligand information
Ligand IDLJA
InChIInChI=1S/C9H11N3O2/c1-6(13)11-7-3-2-4-8(5-7)12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)
InChIKeyGVNXANNAMKHSRF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1cccc(NC(N)=O)c1
ACDLabs 12.01N(C(C)=O)c1cccc(c1)NC(N)=O
OpenEye OEToolkits 2.0.6CC(=O)Nc1cccc(c1)NC(=O)N
FormulaC9 H11 N3 O2
NameN-[3-(carbamoylamino)phenyl]acetamide
ChEMBL
DrugBank
ZINCZINC000000349236
PDB chain5slf Chain D Residue 607 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5slf PanDDA analysis group deposition
Resolution2.01 Å
Binding residue
(original residue number in PDB)		T103 N104 L105 L107 P121 W159
Binding residue
(residue number reindexed from 1)		T76 N77 L78 L80 P94 W104
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.-
Gene Ontology
Molecular Function
GO:0000175 3'-5'-RNA exonuclease activity
GO:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity
GO:0004532 RNA exonuclease activity
GO:0008168 methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:5slf, PDBe:5slf, PDBj:5slf
PDBsum5slf
PubMed
UniProtP0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)

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