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Related entries of code: 2i7c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2pt9RCSB PDB    PDBbind321aa, >2PT9_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1jq3RCSB PDB    PDBbindAAT

Entry Information
PDB ID2i7c
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namespermidine synthase (SPDS, putrescine aminopropyltransferase)
Ligand NameAAT
EC.Number E.C.2.5.1.16
Resolution 1.71(Å)
Affinity (Kd/Ki/IC50)IC50=8.5uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference (2007) J.Mol.Biol. Vol. 373: pp. 167-177
Ligand Properties
Formula C18H31N7O3S
Molecular Weight 425.549
Exact Mass 425.221
No. of atoms 60
No. of bonds 62
Polar Surface Area 199.89
LOGP Value -1.51      (Computed with XLOGP3)
-0.73      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
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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