Browse entries in the PDBbind-CN Database

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Related entries of code: 4wf4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ndoRCSB PDB    PDBbind189aa, >2NDO_1|Chain... at 99%
4tkyRCSB PDB    PDBbind191aa, >4TKY_1|Chains... *
4wetRCSB PDB    PDBbind189aa, >4WET_1|Chains... at 99%
4weyRCSB PDB    PDBbind189aa, >4WEY_1|Chains... at 99%
4zijRCSB PDB    PDBbind188aa, >4ZIJ_1|Chains... at 99%
6pvzRCSB PDB    PDBbind189aa, >6PVZ_1|Chains... at 99%
6pvyRCSB PDB    PDBbind189aa, >6PVY_1|Chains... at 99%
6poqRCSB PDB    PDBbind189aa, >6POQ_1|Chains... at 99%
6poiRCSB PDB    PDBbind189aa, >6POI_1|Chains... at 99%
6pohRCSB PDB    PDBbind189aa, >6POH_1|Chains... at 99%
6pmlRCSB PDB    PDBbind189aa, >6PML_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4wf4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE.Coli DsbA
Ligand NameWF4
EC.Number E.C.1.8.4.2
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=777uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 2179-2184
Ligand Properties
Formula C12H8F3NO2S
Molecular Weight 287.258
Exact Mass 287.023
No. of atoms 27
No. of bonds 28
Polar Surface Area 78.43
LOGP Value 4.55      (Computed with XLOGP3)
3.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
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): A0A0H2UL03  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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