Browse entries in the PDBbind-CN Database

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Related entries of code: 2x2i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4amwRCSB PDB    PDBbind1027aa, >4AMW_1|Chains... at 100%
4amxRCSB PDB    PDBbind1027aa, >4AMX_1|Chains... 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 ID2x2i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameALPHA-1,4-GLUCAN LYASE ISOZYME 1
Ligand NameQPS
EC.Number E.C.4.2.2.13
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=2nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Biol.Chem. Vol. 288: pp. 26764
Ligand Properties
Formula C25H44NO18
Molecular Weight 646.613
Exact Mass 646.256
No. of atoms 88
No. of bonds 91
Polar Surface Area 325.75
LOGP Value -8.53      (Computed with XLOGP3)
-9.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 4
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): Q9STC1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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