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Related entries of code: 2pt9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2i7cRCSB PDB    PDBbind283aa, >2I7C_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2pt9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namespermidine synthase (SPDS, putrescine aminopropyltransferase)
Ligand NameS4M
EC.Number E.C.2.5.1.16
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=35uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2007) J.Mol.Biol. Vol. 373: pp. 167-177
Ligand Properties
Formula C14H24N6O3S
Molecular Weight 356.444
Exact Mass 356.163
No. of atoms 48
No. of bonds 50
Polar Surface Area 172.25
LOGP Value -1.69      (Computed with XLOGP3)
-0.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
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): Q8II73  
Entrez Gene IDNCBI Entrez Gene ID: 810848  
ASDInformation of known allosteric effects of PDB entries

 
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