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Related entries of code: 5hi7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5cclRCSB PDB    PDBbind432aa, >5CCL_1|Chain... *
5ccmRCSB PDB    PDBbind428aa, >5CCM_1|Chain... at 100%
6ijlRCSB PDB    PDBbind428aa, >6IJL_1|Chain... at 99%
5yjoRCSB PDB    PDBbind423aa, >5YJO_1|Chain... at 99%
5v37RCSB PDB    PDBbind428aa, >5V37_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 ID5hi7
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman Histone-lysine N-methyltransferase SMYD3
Ligand Name62X
EC.Number E.C.2.1.1.43
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)Ki=14nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Structure Vol. 24: pp. 774-781
Ligand Properties
Formula C19H35N8O5
Molecular Weight 455.532
Exact Mass 455.273
No. of atoms 67
No. of bonds 69
Polar Surface Area 193.13
LOGP Value -3.14      (Computed with XLOGP3)
-4.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 13
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): Q9H7B4  
Entrez Gene IDNCBI Entrez Gene ID: 64754  
ASDInformation of known allosteric effects of PDB entries
 
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