Structure of PDB 7l6r Chain B Binding Site BS02

Receptor Information
>7l6r Chain B (length=109) 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]
FAVDAAKAYKDYLASGGQPITNCVKMLCTHTGTGQAITVTPEANMDQESF
GGASCCLYCRCHIDHPNFCDLKGKYVQIPTTCANDPVGFTLKNTVCTVCG
MWKGYGCSC
Ligand information
Ligand IDBDF
InChIInChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyLKDRXBCSQODPBY-ARQDHWQXSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
ACDLabs 10.04OC1C(O)(OCC(O)C1O)CO
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)(CO)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-fructopyranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBL
DrugBank
ZINCZINC000003861095
PDB chain7l6r Chain B Residue 4402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7l6r Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		T4292 N4293 C4294
Binding residue
(residue number reindexed from 1)		T21 N22 C23
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:0003723 RNA binding
GO:0008270 zinc ion binding
Biological Process
GO:0019079 viral genome replication

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Molecular Function
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Biological Process
External links
PDB RCSB:7l6r, PDBe:7l6r, PDBj:7l6r
PDBsum7l6r
PubMed34131072
UniProtP0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)

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