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Related entries of code: 4gqq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1u2yRCSB PDB    PDBbind496aa, >1U2Y_1|Chain... *
1u33RCSB PDB    PDBbind496aa, >1U33_1|Chain... at 100%
1xd0RCSB PDB    PDBbind496aa, >1XD0_1|Chain... at 100%
3oldRCSB PDB    PDBbind496aa, >3OLD_1|Chain... at 99%
3oleRCSB PDB    PDBbind496aa, >3OLE_1|Chain... at 99%
3olgRCSB PDB    PDBbind496aa, >3OLG_1|Chain... at 99%
3oliRCSB PDB    PDBbind496aa, >3OLI_1|Chain... at 99%
4gqrRCSB PDB    PDBbind496aa, >4GQR_1|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 ID4gqq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePancreatic alpha-amylase
Ligand Name0XR
EC.Number E.C.
Resolution 1.35(Å)
Affinity (Kd/Ki/IC50)Ki=1.3mM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 10177-10186
Ligand Properties
Formula C11H12O4
Molecular Weight 208.211
Exact Mass 208.074
No. of atoms 27
No. of bonds 27
Polar Surface Area 66.76
LOGP Value 1.86      (Computed with XLOGP3)
1.67      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
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): P04746  
Entrez Gene IDNCBI Entrez Gene ID: 279  
ASDInformation of known allosteric effects of PDB entries

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