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Related entries of code: 4ryl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3smqRCSB PDB    PDBbind340aa, >3SMQ_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4ryl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman Protein Arginine Methyltransferase 3
Ligand Name3ZG
EC.Number E.C.2.1.1.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=53nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 5166-5170
Ligand Properties
Formula C16H18N4O2
Molecular Weight 298.340
Exact Mass 298.143
No. of atoms 40
No. of bonds 42
Polar Surface Area 74.33
LOGP Value 1.12      (Computed with XLOGP3)
2.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
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): O60678  
Entrez Gene IDNCBI Entrez Gene ID: 10196  
ASDInformation of known allosteric effects of PDB entries
 
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