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Related entries of code: 1jfh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1pigRCSB PDB    PDBbind496aa, >1PIG_1|Chain... at 99%
1ppiRCSB PDB    PDBbind496aa, >1PPI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1jfh
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namealpha-amylase
Ligand NameMA2-MA3
EC.Number E.C.3.2.1.1
Resolution 2.03(Å)
Affinity (Kd/Ki/IC50)Ki=9mM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference Protein Sci. v6 pp. 2285-96, 1997
Ligand Properties
Formula C14H26O9S2
Molecular Weight 402.481
Exact Mass 402.102
No. of atoms 51
No. of bonds 52
Polar Surface Area 199.67
LOGP Value -2.62      (Computed with XLOGP3)
-2.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 9
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): P00690  
Entrez Gene IDNCBI Entrez Gene ID: 397397  
ASDInformation of known allosteric effects of PDB entries

 
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