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Related entries of code: 1jqy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1eefRCSB PDB    PDBbind103aa, >1EEF_1|Chains... *
1efiRCSB PDB    PDBbind103aa, >1EFI_1|Chains... at 100%
1fd7RCSB PDB    PDBbind103aa, >1FD7_1|Chains... at 100%
1lt5RCSB PDB    PDBbind103aa, >1LT5_1|Chains... at 100%
1lt6RCSB PDB    PDBbind103aa, >1LT6_1|Chains... at 100%
1pziRCSB PDB    PDBbind103aa, >1PZI_1|Chains... at 100%
1tetRCSB PDB    PDBbind15aa, >1TET_3|Chain... 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 ID1jqy
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameheat-labile enterotoxin b
Ligand NameA32
EC.Number E.C.-.-.-.-
Resolution 2.14(Å)
Affinity (Kd/Ki/IC50)Ki=12uM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference Chem.Biol. v9 pp. 215-24, 2002
Ligand Properties
Formula C20H30N3O10
Molecular Weight 472.466
Exact Mass 472.193
No. of atoms 63
No. of bonds 65
Polar Surface Area 187.97
LOGP Value -1.11      (Computed with XLOGP3)
-0.71      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 13
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): P32890  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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