Browse entries in the PDBbind-CN Database

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Related entries of code: 1k1y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1agmRCSB PDB    PDBbindACR
1gahRCSB PDB    PDBbindACR
1lf9RCSB PDB    PDBbindACR
2qmjRCSB PDB    PDBbindACR
2zq0RCSB PDB    PDBbindACR
3jyrRCSB PDB    PDBbindACR
3jzjRCSB PDB    PDBbindACR
3w37RCSB PDB    PDBbindACR
4b9zRCSB PDB    PDBbindACR
4uacRCSB PDB    PDBbindACR

Entry Information
PDB ID1k1y
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name4-alpha-glucanotransferase
Ligand NameACR
EC.Number E.C.2.4.1.25
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=0.6mM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference J.BIOL.CHEM. v278 pp. 19378-86, 2003
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): O32462  
Entrez Gene IDNCBI Entrez Gene ID: 16548782  
ASDInformation of known allosteric effects of PDB entries

 
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