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Related entries of code: 5f3i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2oq6RCSB PDB    PDBbind381aa, >2OQ6_1|Chains... *
2vd7RCSB PDB    PDBbind381aa, >2VD7_1|Chains... at 100%
2wwjRCSB PDB    PDBbind348aa, >2WWJ_1|Chains... at 99%
2ybkRCSB PDB    PDBbind381aa, >2YBK_1|Chains... at 100%
3njyRCSB PDB    PDBbind381aa, >3NJY_1|Chains... at 100%
3pdqRCSB PDB    PDBbind381aa, >3PDQ_1|Chains... at 100%
4bisRCSB PDB    PDBbind381aa, >4BIS_1|Chains... at 100%
4uraRCSB PDB    PDBbind360aa, >4URA_1|Chains... at 100%
5anqRCSB PDB    PDBbind359aa, >5ANQ_1|Chains... at 100%
5f2sRCSB PDB    PDBbind360aa, >5F2S_1|Chains... at 100%
5f2wRCSB PDB    PDBbind360aa, >5F2W_1|Chains... at 100%
5f32RCSB PDB    PDBbind360aa, >5F32_1|Chains... at 100%
5f37RCSB PDB    PDBbind360aa, >5F37_1|Chains... at 100%
5f39RCSB PDB    PDBbind360aa, >5F39_1|Chains... at 100%
5f3cRCSB PDB    PDBbind360aa, >5F3C_1|Chains... at 100%
5f3eRCSB PDB    PDBbind360aa, >5F3E_1|Chains... at 100%
5f3gRCSB PDB    PDBbind360aa, >5F3G_1|Chains... at 100%
5f5iRCSB PDB    PDBbind363aa, >5F5I_1|Chains... at 100%
5vgiRCSB PDB    PDBbind370aa, >5VGI_1|Chains... at 98%
6h4yRCSB PDB    PDBbind360aa, >6H4Y_1|Chains... at 100%
6h4xRCSB PDB    PDBbind360aa, >6H4X_1|Chains... at 100%
6h4wRCSB PDB    PDBbind360aa, >6H4W_1|Chains... at 100%
6h4vRCSB PDB    PDBbind360aa, >6H4V_1|Chains... at 100%
6h4uRCSB PDB    PDBbind360aa, >6H4U_1|Chains... at 100%
6h4tRCSB PDB    PDBbind360aa, >6H4T_1|Chains... at 100%
6h4sRCSB PDB    PDBbind360aa, >6H4S_1|Chains... at 100%
6h4rRCSB PDB    PDBbind360aa, >6H4R_1|Chains... at 100%
6h4qRCSB PDB    PDBbind360aa, >6H4Q_1|Chains... at 100%
6h4pRCSB PDB    PDBbind360aa, >6H4P_1|Chains... at 100%
6h4oRCSB PDB    PDBbind360aa, >6H4O_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5f3i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman KDM4A
Ligand Name5UJ
EC.Number E.C.1.14.11
Resolution 2.24(Å)
Affinity (Kd/Ki/IC50)IC50=0.08uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 1388-1409
Ligand Properties
Formula C14H17N6O
Molecular Weight 285.324
Exact Mass 285.146
No. of atoms 38
No. of bonds 40
Polar Surface Area 80.9
LOGP Value 0.24      (Computed with XLOGP3)
-0.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
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): O75164  
Entrez Gene IDNCBI Entrez Gene ID: 9682  
ASDInformation of known allosteric effects of PDB entries
 
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