Structure of PDB 9at7 Chain A

Receptor sequence

>9at7A (length=301) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2) [Search protein sequence]

FRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNP
NYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYK
FVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNI
DYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITV
NVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGP
LSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSG
V

3D structure

PDB

9at7 Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.

Chain

Resolution

1.7 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	A1AGS	A	H41 F140 N142 C145 H163 H164 M165 E166 L167 P168 D187 Q189 T190 A191 Q192	H39 F138 N140 C143 H161 H162 M163 E164 L165 P166 D185 Q187 T188 A189 Q190
BS02	A1AGT	A	F140 N142 G143 C145 H163 H164 M165 E166 L167 P168 D187 Q189 T190 A191 Q192	F138 N140 G141 C143 H161 H162 M163 E164 L165 P166 D185 Q187 T188 A189 Q190

External links

PDB	RCSB:9at7, PDBe:9at7, PDBj:9at7
PDBsum	9at7
PubMed	38953866
UniProt	P0DTD1\|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)

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