Browse entries in the PDBbind-CN Database

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Related entries of code: 4jdf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a99RCSB PDB    PDBbind344aa, >1A99_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1potRCSB PDB    PDBbindSPD
3ttnRCSB PDB    PDBbindSPD
4qf8RCSB PDB    PDBbindSPD
6ikmRCSB PDB    PDBbindSPD

Entry Information
PDB ID4jdf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePutrescine-binding periplasmic protein (S38T, D39E, S87Y, A182D, D247S, F276W, L348Q mutation)
Ligand NameSPD
EC.Number E.C.-.-.-.-
Resolution 1.69(Å)
Affinity (Kd/Ki/IC50)Kd=6.4mM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Struct.Biol. Vol. 185: pp. 186-192
Ligand Properties
Formula C7H19N3
Molecular Weight 145.246
Exact Mass 145.158
No. of atoms 29
No. of bonds 28
Polar Surface Area 70.27
LOGP Value -0.71      (Computed with XLOGP3)
-1.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 3
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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