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Related entries of code: 4l53
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4gs6RCSB PDB    PDBbind315aa, >4GS6_1|Chain... *
4l3pRCSB PDB    PDBbind315aa, >4L3P_1|Chain... at 100%
4l52RCSB PDB    PDBbind307aa, >4L52_1|Chain... at 100%
4o91RCSB PDB    PDBbind314aa, >4O91_1|Chain... at 100%
5e7rRCSB PDB    PDBbind314aa, >5E7R_1|Chain... at 100%
5gjdRCSB PDB    PDBbind315aa, >5GJD_1|Chain... at 99%
5gjfRCSB PDB    PDBbind315aa, >5GJF_1|Chain... at 99%
5gjgRCSB PDB    PDBbind315aa, >5GJG_1|Chain... at 99%
5j7sRCSB PDB    PDBbind314aa, >5J7S_1|Chain... at 100%
5j8iRCSB PDB    PDBbind314aa, >5J8I_1|Chain... at 100%
5j9lRCSB PDB    PDBbind307aa, >5J9L_1|Chain... at 100%
5jgaRCSB PDB    PDBbind315aa, >5JGA_1|Chain... at 99%
5jgbRCSB PDB    PDBbind315aa, >5JGB_1|Chain... at 99%
5jgdRCSB PDB    PDBbind315aa, >5JGD_1|Chain... at 99%
5jh6RCSB PDB    PDBbind314aa, >5JH6_1|Chain... at 100%
5jk3RCSB PDB    PDBbind314aa, >5JK3_1|Chain... at 100%
5v5nRCSB PDB    PDBbind307aa, >5V5N_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 ID4l53
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTGF-beta-activated kinase 1
Ligand Name1UO
EC.Number E.C.2.7.11.25
Resolution 2.55(Å)
Affinity (Kd/Ki/IC50)IC50=28nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg.Med.Chem.Lett. Vol. 23: pp. 4511-4516
Ligand Properties
Formula C22H19ClN6O2S
Molecular Weight 466.943
Exact Mass 466.098
No. of atoms 51
No. of bonds 56
Polar Surface Area 144.12
LOGP Value 3.63      (Computed with XLOGP3)
5.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 6
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): O43318  Q15750  
Entrez Gene IDNCBI Entrez Gene ID: 6885  10454  
ASDInformation of known allosteric effects of PDB entries
 
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