Browse entries in the PDBbind-CN Database

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Related entries of code: 1kel
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
1fl6RCSB PDB    PDBbindAAH

Entry Information
PDB ID1kel
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namefab 28b4
Ligand NameAAH
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=52nM
Release Year1996
Protein/NA SequenceCheck fasta file
Primary Reference Proc.Natl.Acad.Sci.USA v93 pp. 5363-7, 1996
Ligand Properties
Formula C13H21N2O7P
Molecular Weight 348.289
Exact Mass 348.109
No. of atoms 44
No. of bonds 44
Polar Surface Area 161.84
LOGP Value -0.93      (Computed with XLOGP3)
0.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
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): P01868  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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