Browse entries in the PDBbind-CN Database

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Related entries of code: 1a99
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4jdfRCSB PDB    PDBbind353aa, >4JDF_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3ttmRCSB PDB    PDBbindPUT
6f9gRCSB PDB    PDBbindPUT

Entry Information
PDB ID1a99
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameputrescine-binding protein
Ligand NamePUT
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=2uM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v273 pp. 17604-9, 1998
Ligand Properties
Formula C4H14N2
Molecular Weight 90.167
Exact Mass 90.116
No. of atoms 20
No. of bonds 19
Polar Surface Area 55.28
LOGP Value -0.94      (Computed with XLOGP3)
-1.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
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): P31133  
Entrez Gene IDNCBI Entrez Gene ID: 61643483  945480  
ASDInformation of known allosteric effects of PDB entries

 
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