Browse entries in the PDBbind-CN Database

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Related entries of code: 4ie6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4cxwRCSB PDB    PDBbind495aa, >4CXW_1|Chain... *
4cxxRCSB PDB    PDBbind495aa, >4CXX_1|Chain... at 100%
4cxyRCSB PDB    PDBbind495aa, >4CXY_1|Chain... at 100%
4idzRCSB PDB    PDBbind495aa, >4IDZ_1|Chain... at 100%
4ie0RCSB PDB    PDBbind495aa, >4IE0_1|Chain... at 100%
4ie4RCSB PDB    PDBbind495aa, >4IE4_1|Chain... at 100%
4ie5RCSB PDB    PDBbind495aa, >4IE5_1|Chain... at 100%
4ie7RCSB PDB    PDBbind495aa, >4IE7_1|Chain... at 100%
4zs2RCSB PDB    PDBbind478aa, >4ZS2_1|Chain... at 100%
4zs3RCSB PDB    PDBbind478aa, >4ZS3_1|Chain... at 100%
6akwRCSB PDB    PDBbind492aa, >6AKW_1|Chain... at 100%
5zmdRCSB PDB    PDBbind463aa, >5ZMD_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2y34RCSB PDB    PDBbindUN9
4bqxRCSB PDB    PDBbindUN9

Entry Information
PDB ID4ie6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAlpha-ketoglutarate-dependent dioxygenase FTO
Ligand NameUN9
EC.Number E.C.1.14.11
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=2.8uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 3680-3688
Ligand Properties
Formula C12H9ClN2O4
Molecular Weight 280.664
Exact Mass 280.025
No. of atoms 28
No. of bonds 29
Polar Surface Area 99.52
LOGP Value 3.35      (Computed with XLOGP3)
1.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
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): Q9C0B1  
Entrez Gene IDNCBI Entrez Gene ID: 79068  
ASDInformation of known allosteric effects of PDB entries

 
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