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Related entries of code: 4kjv
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%
4kjuRCSB PDB    PDBbind86aa, >4KJU_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 ID4kjv
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE3 ubiquitin-protein ligase XIAP
Ligand Name1RK
EC.Number E.C.6.3.2
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)IC50=18nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 7772-7787
Ligand Properties
Formula C30H34N3O7
Molecular Weight 548.607
Exact Mass 548.240
No. of atoms 74
No. of bonds 78
Polar Surface Area 131.01
LOGP Value 1.68      (Computed with XLOGP3)
2.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
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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