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Related entries of code: 2i6a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2i6bRCSB PDB    PDBbind345aa, >2I6B_1|Chains... at 98%
4o1lRCSB PDB    PDBbind346aa, >4O1L_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 ID2i6a
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAdenosine kinase
Ligand Name5I5
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=0.9nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference J. Med. Chem. 2006, 49, 6726-6731.
Ligand Properties
Formula C11H13IN4O3
Molecular Weight 376.150
Exact Mass 376.003
No. of atoms 32
No. of bonds 34
Polar Surface Area 106.42
LOGP Value -0.19      (Computed with XLOGP3)
0.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
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): P55263  
Entrez Gene IDNCBI Entrez Gene ID: 132  
ASDInformation of known allosteric effects of PDB entries
 
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