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Related entries of code: 3h0w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1i72RCSB PDB    PDBbind67aa, >1I72_1|Chain... *
1i7cRCSB PDB    PDBbind67aa, >1I7C_1|Chain... at 100%
1i7mRCSB PDB    PDBbind67aa, >1I7M_1|Chains... at 100%
3dz2RCSB PDB    PDBbind67aa, >3DZ2_1|Chain... at 100%
3dz4RCSB PDB    PDBbind67aa, >3DZ4_1|Chain... at 100%
3dz5RCSB PDB    PDBbind67aa, >3DZ5_1|Chain... at 100%
3dz6RCSB PDB    PDBbind67aa, >3DZ6_1|Chain... at 100%
3h0vRCSB PDB    PDBbind67aa, >3H0V_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 ID3h0w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman S-adenosylmethionine decarboxylase proenzyme, AdoMetDC
Ligand NameN8M
EC.Number E.C.4.1.1.50
Resolution 1.81(Å)
Affinity (Kd/Ki/IC50)IC50=600nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochemistry Vol. 48: pp. 6423-6430
Ligand Properties
Formula C13H21N6O3
Molecular Weight 309.344
Exact Mass 309.168
No. of atoms 43
No. of bonds 45
Polar Surface Area 123.75
LOGP Value -0.78      (Computed with XLOGP3)
-1.94      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 9
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): P17707  
Entrez Gene IDNCBI Entrez Gene ID: 262  
ASDInformation of known allosteric effects of PDB entries

 
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