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Related entries of code: 4dhl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4dsyRCSB PDB    PDBbind426aa, >4DSY_1|Chains... at 100%
4dt2RCSB PDB    PDBbind426aa, >4DT2_1|Chains... at 100%
6g46RCSB PDB    PDBbind426aa, >6G46_1|Chains... at 100%
6of5RCSB PDB    PDBbind426aa, >6OF5_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4dhl
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePurple acid phosphatase
Ligand Name0K7
EC.Number E.C.3.1.3.2
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=33uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Chem.Biol.Drug Des. Vol. 80: pp. 665-674
Ligand Properties
Formula C11H9NO2S
Molecular Weight 219.260
Exact Mass 219.035
No. of atoms 24
No. of bonds 25
Polar Surface Area 78.43
LOGP Value 3.63      (Computed with XLOGP3)
2.82      (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): P80366  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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