Structure of PDB 5wkl Chain A

Receptor sequence
>5wklA (length=303) Species: 1335626 (Middle East respiratory syndrome-related coronavirus) [Search protein sequence]
HHSGLVKMSHPSGDVEACMVQVTCGSMTLNGLWLDNTVWCPRHVMCPADQ
LSDPNYDALLISMTNHSFSVQKHIANLRVVGHAMQGTLLKLTVDVANPST
PAYTFTTVKPGAAFSVLACYNGRPTGTFTVVMRPNYTIKGSFLCGSCGSV
GYTKEGSVINFCYMHQMELANGTHTGSAFDGTMYGAFMDKQVHQVQLTDK
YCSVNVVAWLYAAILNGCAWFVKPNRTSVVSFNEWALANQFTEFVGTQSV
DMLAVKTGVAIEQLLYAIQQLYTGFQGKQILGSTMLEDEFTPEDVNMQIM
GVV
3D structure
PDB5wkl Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
ChainA
Resolution1.85 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.7.7.50: mRNA guanylyltransferase.
3.4.19.12: ubiquitinyl hydrolase 1.
3.4.22.-
3.4.22.69: SARS coronavirus main proteinase.
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 AVY A H41 F143 C145 C148 H166 Q167 M168 E169 D190 Q192 H43 F142 C144 C147 H165 Q166 M167 E168 D189 Q191 PDBbind-CN: -logKd/Ki=6.15,IC50=0.7uM
BS02 B3J A F143 C145 G146 C148 H166 Q167 M168 E169 D190 Q192 F142 C144 G145 C147 H165 Q166 M167 E168 D189 Q191
Gene Ontology
Molecular Function
GO:0008233 peptidase activity
Biological Process
GO:0019082 viral protein processing

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Molecular Function
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Biological Process
External links
PDB RCSB:5wkl, PDBe:5wkl, PDBj:5wkl
PDBsum5wkl
PubMed29544147
UniProtK9N638|R1A_MERS1 Replicase polyprotein 1a (Gene Name=1a)

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