Browse entries in the PDBbind-CN Database

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Related entries of code: 5jf6
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%
5jf7RCSB PDB    PDBbind204aa, >5JF7_1|Chain... at 100%
5jf8RCSB PDB    PDBbind204aa, >5JF8_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3o3jRCSB PDB    PDBbindBB4
Entry Information
PDB ID5jf6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nametype 2 PDF from Streptococcus agalactiae
Ligand NameBB4
EC.Number E.C.3.5.1.88
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Ki=62nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Sci Rep Vol. 6: pp. 35429-35429
Ligand Properties
Formula C10H9BrN2O2
Molecular Weight 269.095
Exact Mass 267.985
No. of atoms 24
No. of bonds 25
Polar Surface Area 65.12
LOGP Value 1.46      (Computed with XLOGP3)
2.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
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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