Browse entries in the PDBbind-CN Database

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Related entries of code: 4yax
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yabRCSB PDB    PDBbind184aa, >4YAB_1|Chains... at 100%
4yadRCSB PDB    PDBbind184aa, >4YAD_1|Chains... at 100%
4yatRCSB PDB    PDBbind184aa, >4YAT_1|Chains... at 100%
4ybmRCSB PDB    PDBbind184aa, >4YBM_1|Chains... at 100%
4ybsRCSB PDB    PDBbind184aa, >4YBS_1|Chain... at 100%
4ybtRCSB PDB    PDBbind184aa, >4YBT_1|Chain... at 100%
4yc9RCSB PDB    PDBbind184aa, >4YC9_1|Chain... at 100%
5h1tRCSB PDB    PDBbind183aa, >5H1T_1|Chains... at 100%
5h1uRCSB PDB    PDBbind183aa, >5H1U_1|Chains... at 100%
5h1vRCSB PDB    PDBbind183aa, >5H1V_1|Chains... 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 ID4yax
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTranscription intermediary factor 1-alpha
Ligand Name4AE
EC.Number E.C.6.3.2.-
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)IC50=1.5uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 1440-1454
Ligand Properties
Formula C22H21N3O5S
Molecular Weight 439.484
Exact Mass 439.120
No. of atoms 52
No. of bonds 55
Polar Surface Area 99.94
LOGP Value 2.95      (Computed with XLOGP3)
4.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
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): O15164  
Entrez Gene IDNCBI Entrez Gene ID: 8805  
ASDInformation of known allosteric effects of PDB entries
 
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