Browse entries in the PDBbind-CN Database

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Related entries of code: 4nw6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ubdRCSB PDB    PDBbind304aa, >3UBD_1|Chain... at 99%
4el9RCSB PDB    PDBbind305aa, >4EL9_1|Chain... at 98%
4gueRCSB PDB    PDBbind305aa, >4GUE_1|Chain... at 98%
4nusRCSB PDB    PDBbind323aa, >4NUS_1|Chain... at 100%
4nw5RCSB PDB    PDBbind323aa, >4NW5_1|Chain... at 100%
5d9kRCSB PDB    PDBbind330aa, >5D9K_1|Chains... *
5d9lRCSB PDB    PDBbind323aa, >5D9L_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 ID4nw6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRibosomal protein S6 kinase alpha-3 Rsk2 NTKD
Ligand Name2NS
EC.Number E.C.2.7.11.1
Resolution 1.74(Å)
Affinity (Kd/Ki/IC50)IC50=4nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 1592-1596
Ligand Properties
Formula C23H20N4O4
Molecular Weight 416.429
Exact Mass 416.148
No. of atoms 51
No. of bonds 55
Polar Surface Area 94.43
LOGP Value 4.74      (Computed with XLOGP3)
5.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
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): P51812  
Entrez Gene IDNCBI Entrez Gene ID: 6197  
ASDInformation of known allosteric effects of PDB entries

 
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