Structure of PDB 6kl5 Chain A Binding Site BS01

Receptor Information
>6kl5 Chain A (length=114) Species: 1335626 (Middle East respiratory syndrome-related coronavirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSWYTGLTQHGKVPLTFPPGQGVPLNANSTPAQNAGYWRRQDRQLAPRWY
FYYTGTGPEAALPFRAVKDGIVWVHEDGATDAPSTFGTRNPNNDSAIVTQ
FAPGTKLPKNFHIE
Ligand information
Ligand IDDJO
InChIInChI=1S/C17H17NO3/c19-11-15-10-14-8-4-5-9-16(14)18(15)17(20)21-12-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2/t15-/m0/s1
InChIKeyQSMOQTIGILELKY-HNNXBMFYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2CO
CACTVS 3.385OC[CH]1Cc2ccccc2N1C(=O)OCc3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)COC(=O)N2c3ccccc3CC2CO
CACTVS 3.385OC[C@@H]1Cc2ccccc2N1C(=O)OCc3ccccc3
FormulaC17 H17 N O3
Name(phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate;
Benzyl 2-(Hydroxymethyl)-1-Indolinecarboxylate
ChEMBL
DrugBank
ZINCZINC000000158776
PDB chain6kl5 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6kl5 Structure-Based Stabilization of Non-native Protein-Protein Interactions of Coronavirus Nucleocapsid Proteins in Antiviral Drug Design.
Resolution3.09 Å
Binding residue
(original residue number in PDB)		V41 G106
Binding residue
(residue number reindexed from 1)		V1 G57
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0019013 viral nucleocapsid

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Molecular Function
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Cellular Component
External links
PDB RCSB:6kl5, PDBe:6kl5, PDBj:6kl5
PDBsum6kl5
PubMed32105468
UniProtK9N4V7|NCAP_MERS1 Nucleoprotein (Gene Name=N)

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