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Related entries of code: 4ono
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4ono
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-2-microglobulin/T-cell surface glycoprotein CD1c/T-cell surface glycoprotein CD1b chimeric protein CD1c
Ligand NamePMK
EC.Number E.C.-.-.-.-
Resolution 2.71(Å)
Affinity (Kd/Ki/IC50)Kd=6.5uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Proc.Natl.Acad.Sci.USA pp. E4648-4657
Ligand Properties
Formula C32H68O4P
Molecular Weight 547.854
Exact Mass 547.486
No. of atoms 105
No. of bonds 104
Polar Surface Area 83.51
LOGP Value 13.25      (Computed with XLOGP3)
10.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 26
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 0
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): P29017  P29016  P61769  
Entrez Gene IDNCBI Entrez Gene ID: 911  910  567  
ASDInformation of known allosteric effects of PDB entries

 
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