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Related entries of code: 5a3t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5a1fRCSB PDB    PDBbind475aa, >5A1F_1|Chain... at 100%
5a3nRCSB PDB    PDBbind481aa, >5A3N_1|Chain... *
5a3wRCSB PDB    PDBbind481aa, >5A3W_1|Chain... at 100%
5fpuRCSB PDB    PDBbind481aa, >5FPU_1|Chain... at 100%
5funRCSB PDB    PDBbind481aa, >5FUN_1|Chain... at 100%
6h52RCSB PDB    PDBbind481aa, >6H52_1|Chain... at 100%
6h51RCSB PDB    PDBbind481aa, >6H51_1|Chain... at 100%
6h50RCSB PDB    PDBbind481aa, >6H50_1|Chain... at 100%
6h4zRCSB PDB    PDBbind481aa, >6H4Z_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5fwjRCSB PDB    PDBbindMMK
5islRCSB PDB    PDBbindMMK

Entry Information
PDB ID5a3t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman KDM5B
Ligand NameMMK
EC.Number E.C.1.14.11
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=0.004uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nat.Chem.Biol. Vol. 12: pp. 539-548
Ligand Properties
Formula C15H26N4O3
Molecular Weight 310.392
Exact Mass 310.200
No. of atoms 48
No. of bonds 48
Polar Surface Area 91.55
LOGP Value -1.48      (Computed with XLOGP3)
-2.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 1
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): Q9UGL1  
Entrez Gene IDNCBI Entrez Gene ID: 10765  
ASDInformation of known allosteric effects of PDB entries

 
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