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Related entries of code: 6nzk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6nzk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSpike surface glycoprotein
Ligand NameMJJ
EC.Number E.C.-.-.-.-
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Kd=49.7uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Nat.Struct.Mol.Biol. Vol. 26: pp. 481-489
Ligand Properties
Formula C14H23NO10
Molecular Weight 365.333
Exact Mass 365.132
No. of atoms 48
No. of bonds 48
Polar Surface Area 171.85
LOGP Value -1.47      (Computed with XLOGP3)
-2.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 1
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q696P8  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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