Structure of PDB 9asw Chain B

Receptor sequence

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

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDML
NPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPK
YKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGF
NIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTI
TVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDIL
GPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQC
S

3D structure

PDB

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

Chain

Resolution

1.75 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	A1AGA	B	H41 N142 C145 H163 H164 M165 E166 L167 P168 Q189 T190 A191 Q192	H41 N142 C145 H163 H164 M165 E166 L167 P168 Q189 T190 A191 Q192
BS02	A1AGB	B	H41 N142 C145 H163 H164 M165 E166 L167 P168 Q189 T190 A191 Q192	H41 N142 C145 H163 H164 M165 E166 L167 P168 Q189 T190 A191 Q192

External links

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

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