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Related entries of code: 4m3m
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4d8sRCSB PDB    PDBbind390aa, >4D8S_1|Chain... *
4ks1RCSB PDB    PDBbind390aa, >4KS1_1|Chain... at 98%
4ks2RCSB PDB    PDBbind390aa, >4KS2_1|Chain... at 98%
4ks3RCSB PDB    PDBbind390aa, >4KS3_1|Chain... at 98%
4ks4RCSB PDB    PDBbind390aa, >4KS4_1|Chain... at 98%
4ks5RCSB PDB    PDBbind390aa, >4KS5_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4m3m
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameInfluenza Neuraminidase H3N8
Ligand Name22N
EC.Number E.C.3.2.1.18
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=0.9nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Org.Biomol.Chem. Vol. 12: pp. 1561-1569
Ligand Properties
Formula C14H25N2O4
Molecular Weight 285.359
Exact Mass 285.181
No. of atoms 45
No. of bonds 45
Polar Surface Area 103.27
LOGP Value -0.95      (Computed with XLOGP3)
0.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
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): Q07599  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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