Browse entries in the PDBbind-CN Database

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Related entries of code: 2jjr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1nliRCSB PDB    PDBbind248aa, >1NLI_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2jjr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name[V232k/N236D]TCS
Ligand NameTAM
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=6.28nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Nucleic Acids Res. Vol. 37: pp. 602-610
Ligand Properties
Formula C7H18NO3
Molecular Weight 164.223
Exact Mass 164.129
No. of atoms 29
No. of bonds 28
Polar Surface Area 88.33
LOGP Value -1.81      (Computed with XLOGP3)
-1.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
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): P09989  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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