Structure of PDB 5slh Chain D Binding Site BS04

Receptor Information
>5slh Chain D (length=458) 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
ITREEAIRHVRAWIGFDVEGCHGTNLPLQLGFSTGVNLVAVPTLMYKGLP
WNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTCC
LCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNHD
LYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINAA
CRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSD
KAYKIEELFYSYHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLN
LPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGIDYV
PLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDT
YNLWNTFT
Ligand information
Ligand IDLLU
InChIInChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m0/s1
InChIKeyMMWXPDDADHYFFS-LURJTMIESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H](C(=O)O)Oc1ccccc1F
OpenEye OEToolkits 2.0.7CC(C(=O)O)Oc1ccccc1F
CACTVS 3.385C[C@H](Oc1ccccc1F)C(O)=O
ACDLabs 12.01CC(Oc1ccccc1F)C(=O)O
CACTVS 3.385C[CH](Oc1ccccc1F)C(O)=O
FormulaC9 H9 F O3
Name(2S)-2-(2-fluorophenoxy)propanoic acid
ChEMBL
DrugBank
ZINCZINC000006678532
PDB chain5slh 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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PDB5slh PanDDA analysis group deposition
Resolution1.819 Å
Binding residue
(original residue number in PDB)		V263 H264
Binding residue
(residue number reindexed from 1)		V205 H206
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:5slh, PDBe:5slh, PDBj:5slh
PDBsum5slh
PubMed
UniProtP0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)

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