Browse entries in the PDBbind-CN Database

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Related entries of code: 4ce2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a4hRCSB PDB    PDBbind230aa, >1A4H_1|Chain... at 99%
1amwRCSB PDB    PDBbind214aa, >1AMW_1|Chain... at 100%
1bgqRCSB PDB    PDBbind225aa, >1BGQ_1|Chain... at 98%
1us7RCSB PDB    PDBbind214aa, >1US7_1|Chain... at 100%
2brcRCSB PDB    PDBbind214aa, >2BRC_1|Chain... at 100%
2cgfRCSB PDB    PDBbind225aa, >2CGF_1|Chain... at 98%
2fxsRCSB PDB    PDBbind240aa, >2FXS_1|Chain... *
2iwsRCSB PDB    PDBbind214aa, >2IWS_1|Chain... at 100%
2iwuRCSB PDB    PDBbind214aa, >2IWU_1|Chain... at 100%
2iwxRCSB PDB    PDBbind214aa, >2IWX_1|Chain... at 100%
2vw5RCSB PDB    PDBbind214aa, >2VW5_1|Chains... at 100%
2vwcRCSB PDB    PDBbind219aa, >2VWC_1|Chain... at 100%
2weqRCSB PDB    PDBbind220aa, >2WEQ_1|Chain... at 99%
2werRCSB PDB    PDBbind220aa, >2WER_1|Chains... at 99%
2xd6RCSB PDB    PDBbind214aa, >2XD6_1|Chain... at 100%
2xx2RCSB PDB    PDBbind214aa, >2XX2_1|Chains... at 100%
2xx4RCSB PDB    PDBbind214aa, >2XX4_1|Chain... at 100%
2xx5RCSB PDB    PDBbind214aa, >2XX5_1|Chain... at 100%
2ygaRCSB PDB    PDBbind220aa, >2YGA_1|Chain... at 99%
2ygeRCSB PDB    PDBbind220aa, >2YGE_1|Chain... at 99%
2ygfRCSB PDB    PDBbind220aa, >2YGF_1|Chain... at 98%
4as9RCSB PDB    PDBbind220aa, >4AS9_1|Chain... at 100%
4ce1RCSB PDB    PDBbind214aa, >4CE1_1|Chain... at 100%
4ce3RCSB PDB    PDBbind214aa, >4CE3_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 ID4ce2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHsp90 N-terminal domain
Ligand NameBO5
EC.Number E.C.-.-.-.-
Resolution 2.38(Å)
Affinity (Kd/Ki/IC50)Kd=144uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Org.Biomol.Chem.2014, 12, 1328-1340
Ligand Properties
Formula C19H24ClNO4
Molecular Weight 365.851
Exact Mass 365.139
No. of atoms 49
No. of bonds 50
Polar Surface Area 77.84
LOGP Value 4.09      (Computed with XLOGP3)
3.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
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): P02829  
Entrez Gene IDNCBI Entrez Gene ID: 855836  
ASDInformation of known allosteric effects of PDB entries
 
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