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Related entries of code: 4yzm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yznRCSB PDB    PDBbind287aa, >4YZN_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5ootRCSB PDB    PDBbind4K4
5oq5RCSB PDB    PDBbind4K4
5oq6RCSB PDB    PDBbind4K4
5wa5RCSB PDB    PDBbind4K4
Entry Information
PDB ID4yzm
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProbable serine/threonine-protein kinase roco4 (F1107L/F1161L)
Ligand Name4K4
EC.Number E.C.2.7.11.1
Resolution 3(Å)
Affinity (Kd/Ki/IC50)IC50=5.38uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 3751-3756
Ligand Properties
Formula C31H40N8O3
Molecular Weight 572.701
Exact Mass 572.322
No. of atoms 82
No. of bonds 87
Polar Surface Area 103.16
LOGP Value 3.02      (Computed with XLOGP3)
3.30      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 11
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): Q6XHB2  
Entrez Gene IDNCBI Entrez Gene ID: 8626525  
ASDInformation of known allosteric effects of PDB entries
 
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