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Related entries of code: 4g3f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4g3eRCSB PDB    PDBbind352aa, >4G3E_1|Chains... *
4g3gRCSB PDB    PDBbind350aa, >4G3G_1|Chain... at 95%
5t8oRCSB PDB    PDBbind349aa, >5T8O_1|Chains... at 100%
5t8pRCSB PDB    PDBbind349aa, >5T8P_1|Chains... at 100%
5t8qRCSB PDB    PDBbind349aa, >5T8Q_1|Chains... at 100%
6g4yRCSB PDB    PDBbind349aa, >6G4Y_1|Chains... at 100%
6g4zRCSB PDB    PDBbind349aa, >6G4Z_1|Chains... at 100%
6mynRCSB PDB    PDBbind347aa, >6MYN_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 ID4g3f
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNF-kappa-beta-inducing kinase
Ligand Name0WB
EC.Number E.C.2.7.11.25
Resolution 1.64(Å)
Affinity (Kd/Ki/IC50)Ki=4.4nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Structure Vol. 20: pp. 1704-1714
Ligand Properties
Formula C16H10FN3OS
Molecular Weight 311.334
Exact Mass 311.053
No. of atoms 32
No. of bonds 34
Polar Surface Area 97.18
LOGP Value 3.95      (Computed with XLOGP3)
4.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
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): Q9WUL6  
Entrez Gene IDNCBI Entrez Gene ID: 53859  
ASDInformation of known allosteric effects of PDB entries
 
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