Browse entries in the PDBbind-CN Database

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Related entries of code: 3sfi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3g1mRCSB PDB    PDBbind236aa, >3G1M_1|Chain... *
3o8gRCSB PDB    PDBbind236aa, >3O8G_1|Chain... at 100%
3o8hRCSB PDB    PDBbind236aa, >3O8H_1|Chain... at 100%
3sdgRCSB PDB    PDBbind236aa, >3SDG_1|Chain... at 100%
4m3bRCSB PDB    PDBbind216aa, >4M3B_1|Chain... at 100%
4m3dRCSB PDB    PDBbind216aa, >4M3D_1|Chain... at 100%
4m3eRCSB PDB    PDBbind216aa, >4M3E_1|Chain... at 100%
4m3fRCSB PDB    PDBbind216aa, >4M3F_1|Chain... at 100%
4m3gRCSB PDB    PDBbind216aa, >4M3G_1|Chain... at 100%
5eyrRCSB PDB    PDBbind228aa, >5EYR_1|Chain... at 94%
5ezgRCSB PDB    PDBbind228aa, >5EZG_1|Chain... at 94%
5ezhRCSB PDB    PDBbind228aa, >5EZH_1|Chain... at 94%
5f04RCSB PDB    PDBbind228aa, >5F04_1|Chain... at 94%
5f08RCSB PDB    PDBbind228aa, >5F08_1|Chain... at 94%
5f0cRCSB PDB    PDBbind228aa, >5F0C_1|Chain... at 94%
5f0fRCSB PDB    PDBbind228aa, >5F0F_1|Chain... at 94%
5f0hRCSB PDB    PDBbind228aa, >5F0H_1|Chain... at 94%
5f1jRCSB PDB    PDBbind228aa, >5F1J_1|Chain... at 94%
5f27RCSB PDB    PDBbind228aa, >5F27_1|Chain... at 94%
5ioyRCSB PDB    PDBbind216aa, >5IOY_1|Chain... at 100%
5iozRCSB PDB    PDBbind216aa, >5IOZ_1|Chain... at 100%
5ipaRCSB PDB    PDBbind216aa, >5IPA_1|Chain... at 100%
5j1rRCSB PDB    PDBbind216aa, >5J1R_1|Chain... at 100%
5j3lRCSB PDB    PDBbind216aa, >5J3L_1|Chain... at 100%
5mwoRCSB PDB    PDBbind228aa, >5MWO_1|Chain... at 94%
5mxkRCSB PDB    PDBbind216aa, >5MXK_1|Chain... at 100%
5mxvRCSB PDB    PDBbind228aa, >5MXV_1|Chain... at 94%
5mylRCSB PDB    PDBbind228aa, >5MYL_1|Chain... at 94%
5mymRCSB PDB    PDBbind228aa, >5MYM_1|Chains... at 94%
5mynRCSB PDB    PDBbind228aa, >5MYN_1|Chain... at 94%
5myrRCSB PDB    PDBbind228aa, >5MYR_1|Chain... at 94%
5mysRCSB PDB    PDBbind228aa, >5MYS_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3sfi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTranscriptional regulatory repressor protein (TETR-family)
Ligand Name3SF
EC.Number E.C.-.-.-.-
Resolution 2.31(Å)
Affinity (Kd/Ki/IC50)IC50=0.4uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 68-83
Ligand Properties
Formula C15H17F3N4O2S
Molecular Weight 374.381
Exact Mass 374.102
No. of atoms 42
No. of bonds 44
Polar Surface Area 100.36
LOGP Value 2.70      (Computed with XLOGP3)
3.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): P9WMC1  
Entrez Gene IDNCBI Entrez Gene ID: 45427859  886189  
ASDInformation of known allosteric effects of PDB entries
 
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