Browse entries in the PDBbind-CN Database

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Related entries of code: 4el9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ubdRCSB PDB    PDBbind304aa, >3UBD_1|Chain... at 99%
4gueRCSB PDB    PDBbind305aa, >4GUE_1|Chain... at 98%
4nusRCSB PDB    PDBbind323aa, >4NUS_1|Chain... at 100%
4nw5RCSB PDB    PDBbind323aa, >4NW5_1|Chain... at 100%
4nw6RCSB PDB    PDBbind323aa, >4NW6_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 ID4el9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameN-terminal domain of RSK2 kinase
Ligand NameAFE
EC.Number E.C.2.7.11.1
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)IC50=4.37uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry Vol. 51: pp. 6499-6510
Ligand Properties
Formula C21H22O10
Molecular Weight 434.393
Exact Mass 434.121
No. of atoms 53
No. of bonds 56
Polar Surface Area 169.3
LOGP Value 0.86      (Computed with XLOGP3)
1.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
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): P18654  
Entrez Gene IDNCBI Entrez Gene ID: 110651  
ASDInformation of known allosteric effects of PDB entries

 
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