Browse entries in the PDBbind-CN Database

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Related entries of code: 5jf1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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%
5jf8RCSB PDB    PDBbind204aa, >5JF8_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1g2aRCSB PDB    PDBbindBB2
1q1yRCSB PDB    PDBbindBB2
1ws1RCSB PDB    PDBbindBB2
3g5kRCSB PDB    PDBbindBB2
3m6pRCSB PDB    PDBbindBB2
3m6qRCSB PDB    PDBbindBB2
3m6rRCSB PDB    PDBbindBB2
3pn4RCSB PDB    PDBbindBB2
4dr9RCSB PDB    PDBbindBB2
4je7RCSB PDB    PDBbindBB2
4q4eRCSB PDB    PDBbindBB2
5mteRCSB PDB    PDBbindBB2
Entry Information
PDB ID5jf1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nametype 2 PDF from Streptococcus agalactiae
Ligand NameBB2
EC.Number E.C.3.5.1.88
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=64nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Sci Rep Vol. 6: pp. 35429-35429
Ligand Properties
Formula C19H35N3O5
Molecular Weight 385.498
Exact Mass 385.258
No. of atoms 62
No. of bonds 62
Polar Surface Area 118.97
LOGP Value 1.55      (Computed with XLOGP3)
1.92      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 1
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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