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Related entries of code: 3uf9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2vc7RCSB PDB    PDBbind314aa, >2VC7_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3uf9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAryldialkylphosphatase
Ligand NameFST
EC.Number E.C.3.1.8.1
Resolution 2.68(Å)
Affinity (Kd/Ki/IC50)Ki=7.78mM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Sci Rep Vol. 2: pp. 779-779
Ligand Properties
Formula C11H18O4PS2
Molecular Weight 309.362
Exact Mass 309.038
No. of atoms 36
No. of bonds 36
Polar Surface Area 115.12
LOGP Value 3.83      (Computed with XLOGP3)
4.74      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 4
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): Q97VT7  
Entrez Gene IDNCBI Entrez Gene ID: 44128246  
ASDInformation of known allosteric effects of PDB entries

 
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