Browse entries in the PDBbind-CN Database

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Related entries of code: 4mao
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4jg6RCSB PDB    PDBbind355aa, >4JG6_1|Chain... at 98%
4jg7RCSB PDB    PDBbind355aa, >4JG7_1|Chain... at 98%
4jg8RCSB PDB    PDBbind355aa, >4JG8_1|Chain... at 98%
4m8tRCSB PDB    PDBbind355aa, >4M8T_1|Chain... at 98%
5o1sRCSB PDB    PDBbind364aa, >5O1S_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4mao
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRSK2 T493M C-Terminal Kinase Domain
Ligand Name28D
EC.Number E.C.2.7.11.1
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=47nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Am.Chem.Soc. Vol. 136: pp. 12624-12630
Ligand Properties
Formula C21H20N6O3
Molecular Weight 404.422
Exact Mass 404.160
No. of atoms 50
No. of bonds 53
Polar Surface Area 110.87
LOGP Value 3.09      (Computed with XLOGP3)
3.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
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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