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Related entries of code: 6pi6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6piiRCSB PDB    PDBbind355aa, >6PII_1|Chains... at 100%
6pi5RCSB PDB    PDBbind355aa, >6PI5_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 ID6pi6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAtrazine periplasmic binding protein
Ligand NameOKM
EC.Number E.C.-.-.-.-
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Kd=2.2uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acta Crystallogr D Struct Biol Vol. 75: pp. 995-1002
Ligand Properties
Formula C8H17N5O
Molecular Weight 199.253
Exact Mass 199.143
No. of atoms 31
No. of bonds 31
Polar Surface Area 88.79
LOGP Value -0.15      (Computed with XLOGP3)
-2.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
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): Q936X6  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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