Structure of PDB 5sli Chain D Binding Site BS04

Receptor Information
>5sli Chain D (length=454) 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
ITREEAIRHVRAWIGFDVEGCHGTNLPLQLGFSTGVNLVAVPTPLMYKGL
PWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTC
CLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNH
DLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINA
ACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCS
DKAYKIEELFYKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLNLPGC
DGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGIDYVPLKS
ATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDTYNLW
NTFT
Ligand information
Ligand IDLL0
InChIInChI=1S/C7H7F2NO3S/c8-7(9)13-5-3-1-2-4-6(5)14(10,11)12/h1-4,7H,(H2,10,11,12)
InChIKeyXDODAVQVIOWLPT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccccc1OC(F)F
ACDLabs 12.01O=S(N)(=O)c1ccccc1OC(F)F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)OC(F)F)S(=O)(=O)N
FormulaC7 H7 F2 N O3 S
Name2-(difluoromethoxy)benzene-1-sulfonamide
ChEMBL
DrugBank
ZINCZINC000036948432
PDB chain5sli Chain D Residue 606 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5sli PanDDA analysis group deposition
Resolution2.3 Å
Binding residue
(original residue number in PDB)		A471 T472 I474 T516 W520
Binding residue
(residue number reindexed from 1)		A401 T402 I404 T446 W450
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:5sli, PDBe:5sli, PDBj:5sli
PDBsum5sli
PubMed
UniProtP0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)

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