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Related entries of code: 4kju
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1i3oRCSB PDB    PDBbind121aa, >1I3O_3|Chains... *
1i51RCSB PDB    PDBbind117aa, >1I51_3|Chains... at 97%
4j44RCSB PDB    PDBbind86aa, >4J44_1|Chains... at 98%
4j45RCSB PDB    PDBbind86aa, >4J45_1|Chains... at 98%
4j46RCSB PDB    PDBbind86aa, >4J46_1|Chains... at 98%
4j47RCSB PDB    PDBbind86aa, >4J47_1|Chains... at 98%
4j48RCSB PDB    PDBbind86aa, >4J48_1|Chains... at 98%
4kjvRCSB PDB    PDBbind86aa, >4KJV_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4kju
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE3 ubiquitin-protein ligase XIAP
Ligand Name1RH
EC.Number E.C.6.3.2
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)IC50=6nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 7788-7803
Ligand Properties
Formula C32H34N5O4
Molecular Weight 552.643
Exact Mass 552.261
No. of atoms 75
No. of bonds 79
Polar Surface Area 121.58
LOGP Value 3.49      (Computed with XLOGP3)
3.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
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): P98170  
Entrez Gene IDNCBI Entrez Gene ID: 331  
ASDInformation of known allosteric effects of PDB entries
 
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