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Related entries of code: 3sk2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3sk2
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namephenazine resistance protein EhpR
Ligand NameGRI
EC.Number E.C.-.-.-.-
Resolution 1.01(Å)
Affinity (Kd/Ki/IC50)Kd=244uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Bmc Struct.Biol. Vol. 11: pp. 33-33
Ligand Properties
Formula C15H12N2O4
Molecular Weight 284.267
Exact Mass 284.080
No. of atoms 33
No. of bonds 35
Polar Surface Area 92.54
LOGP Value 2.33      (Computed with XLOGP3)
1.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): Q8GPH6  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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