Browse entries in the PDBbind-CN Database

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Related entries of code: 4akn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ydwRCSB PDB    PDBbind153aa, >2YDW_1|Chains... at 100%
2yekRCSB PDB    PDBbind153aa, >2YEK_1|Chains... at 100%
3aqaRCSB PDB    PDBbind128aa, >3AQA_1|Chains... at 95%
4a9iRCSB PDB    PDBbind154aa, >4A9I_1|Chains... *
4a9mRCSB PDB    PDBbind154aa, >4A9M_1|Chains... at 100%
4a9nRCSB PDB    PDBbind154aa, >4A9N_1|Chains... at 100%
4algRCSB PDB    PDBbind154aa, >4ALG_1|Chain... at 100%
4uyfRCSB PDB    PDBbind154aa, >4UYF_2|Chains... at 100%
4uyhRCSB PDB    PDBbind154aa, >4UYH_1|Chains... at 100%
6mo9RCSB PDB    PDBbind126aa, >6MO9_1|Chains... at 98%
6mo8RCSB PDB    PDBbind126aa, >6MO8_1|Chains... at 98%
6mo7RCSB PDB    PDBbind126aa, >6MO7_1|Chains... at 98%
6k05RCSB PDB    PDBbind122aa, >6K05_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4bw1RCSB PDB    PDBbindS5B

Entry Information
PDB ID4akn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameN-Terminal Bromodomain of Human BRD2
Ligand NameS5B
EC.Number E.C.-.-.-.-
Resolution 1.82(Å)
Affinity (Kd/Ki/IC50)IC50=0.79uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 2968-2972
Ligand Properties
Formula C25H25N3O3
Molecular Weight 415.484
Exact Mass 415.190
No. of atoms 56
No. of bonds 59
Polar Surface Area 88.25
LOGP Value 7.44      (Computed with XLOGP3)
6.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
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): P25440  
Entrez Gene IDNCBI Entrez Gene ID: 6046  
ASDInformation of known allosteric effects of PDB entries

 
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