Browse entries in the PDBbind-CN Database

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Related entries of code: 4dfu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4dfbRCSB PDB    PDBbind322aa, >4DFB_1|Chains... *
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
2o3pRCSB PDB    PDBbindQUE
3cf8RCSB PDB    PDBbindQUE
4lmuRCSB PDB    PDBbindQUE
4mraRCSB PDB    PDBbindQUE
5auwRCSB PDB    PDBbindQUE
5xg4RCSB PDB    PDBbindQUE
6m89RCSB PDB    PDBbindQUE
Entry Information
PDB ID4dfu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAPH(2)-IVa
Ligand NameQUE
EC.Number E.C.-.-.-.-
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)Ki=25.1uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Chem.Biol. Vol. 18: pp. 1591-1601
Ligand Properties
Formula C15H10O7
Molecular Weight 302.236
Exact Mass 302.043
No. of atoms 32
No. of bonds 34
Polar Surface Area 131.36
LOGP Value 2.17      (Computed with XLOGP3)
1.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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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