Browse entries in the PDBbind-CN Database

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Related entries of code: 5wkl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4rspRCSB PDB    PDBbind306aa, >4RSP_1|Chain... at 100%
4yluRCSB PDB    PDBbind306aa, >4YLU_1|Chains... at 100%
5wkmRCSB PDB    PDBbind313aa, >5WKM_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5wkl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameOrf1a protein
Ligand NameAVY/B3J
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)IC50=0.7uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Eur J Med Chem Vol. 150: pp. 334-346
Ligand Properties
Formula C22H33N3O5
Molecular Weight 419.515
Exact Mass 419.242
No. of atoms 63
No. of bonds 64
Polar Surface Area 116.76
LOGP Value 2.12      (Computed with XLOGP3)
2.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
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): K9N638  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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