Browse entries in the PDBbind-CN Database

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Related entries of code: 5jf8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5jf1RCSB PDB    PDBbind204aa, >5JF1_1|Chain... *
5jf2RCSB PDB    PDBbind204aa, >5JF2_1|Chain... at 100%
5jf3RCSB PDB    PDBbind204aa, >5JF3_1|Chain... at 100%
5jf4RCSB PDB    PDBbind204aa, >5JF4_1|Chain... at 100%
5jf5RCSB PDB    PDBbind204aa, >5JF5_1|Chain... at 100%
5jf6RCSB PDB    PDBbind204aa, >5JF6_1|Chain... at 100%
5jf7RCSB PDB    PDBbind204aa, >5JF7_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3pn3RCSB PDB    PDBbindPN3
Entry Information
PDB ID5jf8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nametype 2 PDF from Streptococcus agalactiae
Ligand NamePN3
EC.Number E.C.3.5.1.88
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=1428nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Sci Rep Vol. 6: pp. 35429-35429
Ligand Properties
Formula C9H18N2O4
Molecular Weight 218.250
Exact Mass 218.127
No. of atoms 33
No. of bonds 32
Polar Surface Area 78.87
LOGP Value 0.38      (Computed with XLOGP3)
1.77      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
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): Q8E378  
Entrez Gene IDNCBI Entrez Gene ID: 61439046  
ASDInformation of known allosteric effects of PDB entries
 
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