Browse entries in the PDBbind-CN Database

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Related entries of code: 5i29
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5i1qRCSB PDB    PDBbind144aa, >5I1Q_1|Chain... at 100%
5mg2RCSB PDB    PDBbind137aa, >5MG2_1|Chain... at 98%
6df4RCSB PDB    PDBbind167aa, >6DF4_1|Chain... *
6df7RCSB PDB    PDBbind167aa, >6DF7_1|Chains... at 100%
6bqdRCSB PDB    PDBbind130aa, >6BQD_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5i7xRCSB PDB    PDBbind67B
5i80RCSB PDB    PDBbind67B
Entry Information
PDB ID5i29
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameSecond bromodomain of TAF1
Ligand Name67B
EC.Number E.C.2.3.1.48
Resolution 1.21(Å)
Affinity (Kd/Ki/IC50)Kd=15nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 5391-5402
Ligand Properties
Formula C17H17N3O2
Molecular Weight 295.336
Exact Mass 295.132
No. of atoms 39
No. of bonds 41
Polar Surface Area 58.1
LOGP Value 1.28      (Computed with XLOGP3)
2.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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): P21675  
Entrez Gene IDNCBI Entrez Gene ID: 6872  
ASDInformation of known allosteric effects of PDB entries
 
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