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Related entries of code: 3o84
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3o84
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePeptide arylation enzyme BasE P45L
Ligand NameHTJ
EC.Number E.C.6.2.1.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=58nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Biochemistry Vol. 49: pp. 9292-9305
Ligand Properties
Formula C19H14N4O2
Molecular Weight 330.340
Exact Mass 330.112
No. of atoms 39
No. of bonds 42
Polar Surface Area 80.9
LOGP Value 3.63      (Computed with XLOGP3)
3.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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