Browse entries in the PDBbind-CN Database

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Related entries of code: 1efi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1eefRCSB PDB    PDBbind103aa, >1EEF_1|Chains... *
1fd7RCSB PDB    PDBbind103aa, >1FD7_1|Chains... at 100%
1jqyRCSB PDB    PDBbind103aa, >1JQY_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 ID1efi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameheat-labile enterotoxin b chain
Ligand NameGAT
EC.Number E.C.-.-.-.-
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)IC50=12mM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference Acta Crystallogr., Sect.D v57 pp. 201-12, 2001
Ligand Properties
Formula C12H17NO6
Molecular Weight 271.266
Exact Mass 271.106
No. of atoms 36
No. of bonds 37
Polar Surface Area 125.4
LOGP Value -0.92      (Computed with XLOGP3)
-0.97      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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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