Structure of PDB 9at0 Chain B

Receptor sequence

>9at0B (length=299) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2) [Search protein sequence]

FRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNP
NYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYK
FVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNI
DYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITV
NVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGP
LSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCS

3D structure

PDB

9at0 Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.

Chain

Resolution

1.85 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	A1AGX	B	H41 N142 C145 H163 H164 M165 E166 L167 P168 D187 Q189 T190 A191 Q192	H39 N140 C143 H161 H162 M163 E164 L165 P166 D185 Q187 T188 A189 Q190
BS02	A1AGW	B	H41 N142 C145 H163 H164 M165 E166 L167 P168 Q189 T190 Q192	H39 N140 C143 H161 H162 M163 E164 L165 P166 Q187 T188 Q190

External links

PDB	RCSB:9at0, PDBe:9at0, PDBj:9at0
PDBsum	9at0
PubMed	38953866
UniProt	P0DTD1\|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)

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