Structure of PDB 9fx6 Chain B Binding Site BS01

Receptor Information
>9fx6 Chain B (length=301) 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]
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDML
NPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPK
YKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGF
NIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTI
TVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDIL
GPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQC
S
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain9fx6 Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9fx6 Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from frozen crystals Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from frozen crystals Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from frozen crystals Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from frozen crystals
Resolution2.227 Å
Binding residue
(original residue number in PDB)		N221 F223 D263
Binding residue
(residue number reindexed from 1)		N221 F223 D263
Annotation score1
External links
PDB RCSB:9fx6, PDBe:9fx6, PDBj:9fx6
PDBsum9fx6
PubMed39052318
UniProtP0DTC1|R1A_SARS2 Replicase polyprotein 1a

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