Structure of PDB 5sli Chain D Binding Site BS05

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 607 [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)		N395 Y511 Q513
Binding residue
(residue number reindexed from 1)		N331 Y441 Q443
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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