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Related entries of code: 5dl1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6pkaRCSB PDB    PDBbind203aa, >6PKA_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 ID5dl1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCaseinolytic protease P (ClpP) from Staphylococcus aureus
Ligand Name5C2
EC.Number E.C.3.4.21.92
Resolution 3(Å)
Affinity (Kd/Ki/IC50)IC50<10uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Angew.Chem.Int.Ed.Engl.15892-15896
Ligand Properties
Formula C18H17N5O2S
Molecular Weight 367.425
Exact Mass 367.110
No. of atoms 43
No. of bonds 46
Polar Surface Area 114.08
LOGP Value 2.14      (Computed with XLOGP3)
4.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): Q2YSF8  
Entrez Gene IDNCBI Entrez Gene ID: 58066641  
ASDInformation of known allosteric effects of PDB entries
 
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