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Related entries of code: 4tx6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2xtkRCSB PDB    PDBbind310aa, >2XTK_1|Chains... *
2xucRCSB PDB    PDBbind310aa, >2XUC_1|Chains... at 100%
2xvnRCSB PDB    PDBbind309aa, >2XVN_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 ID4tx6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameClass III chitinase ChiA1
Ligand Name38B
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=2.6uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) FEBS Lett Vol. 588: pp. 3282
Ligand Properties
Formula C13H11N3O3
Molecular Weight 257.245
Exact Mass 257.080
No. of atoms 30
No. of bonds 32
Polar Surface Area 81.01
LOGP Value 1.11      (Computed with XLOGP3)
1.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): B0Y2Y2  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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