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Related entries of code: 1wdr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1wdqRCSB PDB    PDBbind495aa, >1WDQ_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1n3wRCSB PDB    PDBbindMAL
1r6zRCSB PDB    PDBbindMAL
1urgRCSB PDB    PDBbindMAL
1wdqRCSB PDB    PDBbindMAL
2d2vRCSB PDB    PDBbindMAL
2f5tRCSB PDB    PDBbindMAL
6jb4RCSB PDB    PDBbindMAL
6janRCSB PDB    PDBbindMAL
6j9yRCSB PDB    PDBbindMAL
Entry Information
PDB ID1wdr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebeta-amylase
Ligand NameMAL
EC.Number E.C.3.2.1.2
Resolution 1.35(Å)
Affinity (Kd/Ki/IC50)Kd=3.05mM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistryv44;pp.5106-5116
Ligand Properties
Formula C12H22O11
Molecular Weight 342.296
Exact Mass 342.116
No. of atoms 45
No. of bonds 46
Polar Surface Area 189.53
LOGP Value -4.73      (Computed with XLOGP3)
-5.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 11
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): P10538  
Entrez Gene IDNCBI Entrez Gene ID: 547931  
ASDInformation of known allosteric effects of PDB entries
 
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