Browse entries in the PDBbind-CN Database

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Related entries of code: 4ejn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2uvmRCSB PDB    PDBbind123aa, >2UVM_1|Chain... at 96%
3o96RCSB PDB    PDBbind446aa, >3O96_1|Chain... at 98%
5kcvRCSB PDB    PDBbind460aa, >5KCV_1|Chain... *
6hhjRCSB PDB    PDBbind446aa, >6HHJ_1|Chain... at 100%
6hhhRCSB PDB    PDBbind446aa, >6HHH_1|Chain... at 100%
6hhiRCSB PDB    PDBbind446aa, >6HHI_1|Chain... at 100%
6hhgRCSB PDB    PDBbind446aa, >6HHG_1|Chain... at 100%
6s9wRCSB PDB    PDBbind446aa, >6S9W_1|Chain... at 100%
6s9xRCSB PDB    PDBbind446aa, >6S9X_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 ID4ejn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRAC-alpha serine/threonine-protein kinase
Ligand Name0R4
EC.Number E.C.2.7.11.1
Resolution 2.19(Å)
Affinity (Kd/Ki/IC50)IC50=5nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 5291-5310
Ligand Properties
Formula C33H26FN7O2
Molecular Weight 571.604
Exact Mass 571.213
No. of atoms 69
No. of bonds 74
Polar Surface Area 127.82
LOGP Value 4.32      (Computed with XLOGP3)
6.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
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): P31749  
Entrez Gene IDNCBI Entrez Gene ID: 207  
ASDInformation of known allosteric effects of PDB entries

 
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