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Related entries of code: 3abu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2jbuRCSB PDB    PDBbind12aa, >2JBU_2|Chains... at 100%
3abtRCSB PDB    PDBbind662aa, >3ABT_1|Chain... 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 ID3abu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman LSD1, Lysine-specific histone demethylase 1
Ligand Name12F
EC.Number E.C.-.-.-.-
Resolution 3.1(Å)
Affinity (Kd/Ki/IC50)Ki=2.4uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Biochemistry Vol. 49: pp. 6494-6503
Ligand Properties
Formula C43H52FN9O17P2
Molecular Weight 1047.870
Exact Mass 1047.290
No. of atoms 124
No. of bonds 132
Polar Surface Area 410.66
LOGP Value -2.16      (Computed with XLOGP3)
0.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 26
No. of Rings: 9
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): O60341  
Entrez Gene IDNCBI Entrez Gene ID: 23028  
ASDInformation of known allosteric effects of PDB entries

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