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Related entries of code: 4eb9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3oz1RCSB PDB    PDBbind122aa, >3OZ1_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4ec4RCSB PDB    PDBbind0O6
Entry Information
PDB ID4eb9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBaculoviral IAP repeat-containing protein 2
Ligand Name0O6
EC.Number E.C.6.3.2
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=5.4nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Plos One Vol. 7: pp. e49527-e49527
Ligand Properties
Formula C64H90N14O8
Molecular Weight 1183.490
Exact Mass 1182.710
No. of atoms 176
No. of bonds 184
Polar Surface Area 292.12
LOGP Value 5.63      (Computed with XLOGP3)
3.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 34
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 9
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): Q13490  
Entrez Gene IDNCBI Entrez Gene ID: 329  
ASDInformation of known allosteric effects of PDB entries
 
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