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Related entries of code: 4cxw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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%
4ie6RCSB PDB    PDBbind495aa, >4IE6_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
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4cxw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO
Ligand Name6MK
EC.Number E.C.1.14.11
Resolution 3.1(Å)
Affinity (Kd/Ki/IC50)IC50=0.81uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Chem.Sci. Vol. 6: pp. 112-122
Ligand Properties
Formula C17H17N3O4
Molecular Weight 327.335
Exact Mass 327.122
No. of atoms 41
No. of bonds 42
Polar Surface Area 108.39
LOGP Value 2.43      (Computed with XLOGP3)
2.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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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