Structure of PDB 9at3 Chain A

Receptor sequence
>9at3A (length=298) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2) [Search protein sequence]
FRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNP
NYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYK
FVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNI
DYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITV
NVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGP
LSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQC
3D structure
PDB9at3 Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
ChainA
Resolution1.7 Å
3D
structure
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Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 A1AGK A H41 F140 N142 C145 H163 H164 M165 E166 P168 Q189 T190 H39 F138 N140 C143 H161 H162 M163 E164 P166 Q187 T188
BS02 A1AGL A F140 N142 G143 C145 H163 H164 M165 E166 P168 Q189 F138 N140 G141 C143 H161 H162 M163 E164 P166 Q187
External links
PDB RCSB:9at3, PDBe:9at3, PDBj:9at3
PDBsum9at3
PubMed38953866
UniProtP0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)

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