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Related entries of code: 3fj7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3fjgRCSB PDB    PDBbind251aa, >3FJG_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4umcRCSB PDB    PDBbindPEQ

Entry Information
PDB ID3fj7
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMajor antigenic peptide PEB3
Ligand NamePEQ
EC.Number E.C.-.-.-.-
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=195uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochemistry Vol. 48: pp. 3057-3067
Ligand Properties
Formula C3H8O6P
Molecular Weight 171.066
Exact Mass 171.006
No. of atoms 18
No. of bonds 17
Polar Surface Area 120.81
LOGP Value -0.84      (Computed with XLOGP3)
-0.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 6
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): Q0PBL7  
Entrez Gene IDNCBI Entrez Gene ID: 904613  
ASDInformation of known allosteric effects of PDB entries

 
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