Browse entries in the PDBbind-CN Database

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Related entries of code: 4dfb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4dfuRCSB PDB    PDBbind322aa, >4DFU_1|Chains... at 100%
5c4kRCSB PDB    PDBbind321aa, >5C4K_1|Chains... at 97%
5c4lRCSB PDB    PDBbind321aa, >5C4L_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6o5uRCSB PDB    PDBbindKAN

Entry Information
PDB ID4dfb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAPH(2'')-Id
Ligand NameKAN
EC.Number E.C.-.-.-.-
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Ki=25uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Chem.Biol. Vol. 18: pp. 1591-1601
Ligand Properties
Formula C18H40N4O11
Molecular Weight 488.530
Exact Mass 488.269
No. of atoms 73
No. of bonds 75
Polar Surface Area 289.09
LOGP Value -6.95      (Computed with XLOGP3)
-10.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
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): O68183  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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