Browse entries in the PDBbind-CN Database

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Related entries of code: 3bex
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3bf1RCSB PDB    PDBbind249aa, >3BF1_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 ID3bex
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameTmPanK
Ligand NamePAU
EC.Number E.C.2.7.1.33
Resolution 1.51(Å)
Affinity (Kd/Ki/IC50)Kd=2.7uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Biochemistry Vol. 47: pp. 1369-1380
Ligand Properties
Formula C9H17NO5
Molecular Weight 219.235
Exact Mass 219.111
No. of atoms 32
No. of bonds 31
Polar Surface Area 106.86
LOGP Value 0.37      (Computed with XLOGP3)
-0.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
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): Q9WZY5  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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