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Related entries of code: 4s3f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4s3eRCSB PDB    PDBbind406aa, >4S3E_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4s3f
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name[Fe4S4] Enzyme IspG
Ligand Name43W
EC.Number E.C.1.17.7.3
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)IC50=580nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Mol.Biol. Vol. 427: pp. 2220-2228
Ligand Properties
Formula C4H10O7P2
Molecular Weight 232.066
Exact Mass 231.990
No. of atoms 23
No. of bonds 22
Polar Surface Area 146.79
LOGP Value -2.32      (Computed with XLOGP3)
-0.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): Q5SLI8  
Entrez Gene IDNCBI Entrez Gene ID: 3168579  
ASDInformation of known allosteric effects of PDB entries

 
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