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Related entries of code: 4xjr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4wefRCSB PDB    PDBbind431aa, >4WEF_1|Chains... at 97%
5kv8RCSB PDB    PDBbind437aa, >5KV8_1|Chains... at 100%
5kv9RCSB PDB    PDBbind438aa, >5KV9_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 ID4xjr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHemagglutinin-neuraminidase
Ligand NameOEL
EC.Number E.C.3.2.1.18
Resolution 3(Å)
Affinity (Kd/Ki/IC50)IC50=4.8uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 2936-2940
Ligand Properties
Formula C13H21FN4O7
Molecular Weight 364.327
Exact Mass 364.139
No. of atoms 46
No. of bonds 46
Polar Surface Area 186.07
LOGP Value 0.84      (Computed with XLOGP3)
-1.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 10
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): P08492  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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