Browse entries in the PDBbind-CN Database

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Related entries of code: 4ks2
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%
4ks3RCSB PDB    PDBbind390aa, >4KS3_1|Chain... at 98%
4ks4RCSB PDB    PDBbind390aa, >4KS4_1|Chain... at 98%
4ks5RCSB PDB    PDBbind390aa, >4KS5_1|Chain... at 98%
4m3mRCSB PDB    PDBbind390aa, >4M3M_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4ks2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNeuraminidase
Ligand Name1SJ
EC.Number E.C.-.-.-.-
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=0.46nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Sci Rep Vol. 3: pp. 2871-2871
Ligand Properties
Formula C15H27N4O4
Molecular Weight 327.399
Exact Mass 327.203
No. of atoms 50
No. of bonds 50
Polar Surface Area 141.64
LOGP Value 2.79      (Computed with XLOGP3)
-0.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
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): Q0A480  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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