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Related entries of code: 1x39
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1iewRCSB PDB    PDBbind605aa, >1IEW_1|Chain... at 100%
1lq2RCSB PDB    PDBbind602aa, >1LQ2_1|Chain... at 100%
1x38RCSB PDB    PDBbind602aa, >1X38_1|Chain... at 100%
6md6RCSB PDB    PDBbind609aa, >6MD6_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 ID1x39
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namebeta-d-glucan exohydrolase isoenzyme exo1
Ligand NameIDE
EC.Number E.C.3.2.1.58
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=0.6nM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference BIOCHEMISTRYv44;pp.16529-16539
Ligand Properties
Formula C15H19N3O4
Molecular Weight 305.329
Exact Mass 305.138
No. of atoms 41
No. of bonds 43
Polar Surface Area 110.77
LOGP Value -0.91      (Computed with XLOGP3)
-0.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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): Q9XEI3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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