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Related entries of code: 4u7o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4zkiRCSB PDB    PDBbind277aa, >4ZKI_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 ID4u7o
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistidine protein kinase sensor protein
Ligand NameAN2
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Kd=450uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Acta Crystallogr D Struct Biol Vol. 73: pp. 793-803
Ligand Properties
Formula C10H18N6O9P2
Molecular Weight 428.232
Exact Mass 428.061
No. of atoms 45
No. of bonds 47
Polar Surface Area 271.89
LOGP Value -5.07      (Computed with XLOGP3)
-1.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 15
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): A0A0M3KKX3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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