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Related entries of code: 4rkx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2uzjRCSB PDB    PDBbind253aa, >2UZJ_1|Chains... at 99%
4d8eRCSB PDB    PDBbind261aa, >4D8E_1|Chain... *
4d8iRCSB PDB    PDBbind261aa, >4D8I_1|Chain... 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 ID4rkx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namesecreted Streptococcus pyogenes cysteine protease SpeB
Ligand Name3S9
EC.Number E.C.3.4.22.10
Resolution 1.59(Å)
Affinity (Kd/Ki/IC50)Ki=8uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Biochemistry Vol. 54: pp. 4365-4373
Ligand Properties
Formula C10H10N2O2
Molecular Weight 190.199
Exact Mass 190.074
No. of atoms 24
No. of bonds 24
Polar Surface Area 62.12
LOGP Value 1.23      (Computed with XLOGP3)
1.83      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
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): A0A0M3KKW7  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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