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Related entries of code: 5kv9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4wefRCSB PDB    PDBbind431aa, >4WEF_1|Chains... at 97%
4xjrRCSB PDB    PDBbind454aa, >4XJR_1|Chains... *
5kv8RCSB PDB    PDBbind437aa, >5KV8_1|Chains... 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 ID5kv9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman parainfluenza virus haemagglutinin-neuraminidase
Ligand NameI57
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=1.4uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Sci Rep Vol. 7: pp. 4507-4507
Ligand Properties
Formula C21H26N4O7
Molecular Weight 446.454
Exact Mass 446.180
No. of atoms 58
No. of bonds 60
Polar Surface Area 167.03
LOGP Value 1.34      (Computed with XLOGP3)
0.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
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): G8G134  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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