Structure of PDB 9ath Chain B

Receptor sequence
>9athB (length=305) Species: 1335626 (Middle East respiratory syndrome-related coronavirus) [Search protein sequence]
HSGLVKMSHPSGDVEACMVQVTCGSMTLNGLWLDNTVWCPRHVMCPADQL
SDPNYDALLISMTNHSFSVQKHIGAPANLRVVGHAMQGTLLKLTVDVANP
STPAYTFTTVKPGAAFSVLACYNGRPTGTFTVVMRPNYTIKGSFLCGSCG
SVGYTKEGSVINFCYMHQMELANGTHTGSAFDGTMYGAFMDKQVHQVQLT
DKYCSVNVVAWLYAAILNGCAWFVKPNRTSVVSFNEWALANQFTEFVGTQ
SVDMLAVKTGVAIEQLLYAIQQLYTGFQGKQILGSTMLEDEFTPEDVNMQ
IMGVV
3D structure
PDB9ath Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
ChainB
Resolution1.65 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 A1AGR B F143 L144 G146 C148 H166 Q167 M168 E169 Q192 F144 L145 G147 C149 H167 Q168 M169 E170 Q193
BS02 A1AGQ B H41 F143 C148 H166 Q167 M168 E169 Q192 H42 F144 C149 H167 Q168 M169 E170 Q193
External links
PDB RCSB:9ath, PDBe:9ath, PDBj:9ath
PDBsum9ath
PubMed38953866
UniProtK9N638|R1A_MERS1 Replicase polyprotein 1a (Gene Name=1a)

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