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Related entries of code: 5m6h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5m6fRCSB PDB    PDBbind127aa, >5M6F_1|Chain... *
5m6mRCSB PDB    PDBbind127aa, >5M6M_1|Chain... at 100%
5oqwRCSB PDB    PDBbind127aa, >5OQW_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 ID5m6h
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE3 ubiquitin-protein ligase XIAP
Ligand Name7J6
EC.Number E.C.2.3.2.27
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=150nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 4611-4625
Ligand Properties
Formula C28H39N5O3
Molecular Weight 493.641
Exact Mass 493.305
No. of atoms 75
No. of bonds 79
Polar Surface Area 83.79
LOGP Value 2.11      (Computed with XLOGP3)
2.52      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
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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