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Related entries of code: 4o1l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2i6aRCSB PDB    PDBbind345aa, >2I6A_1|Chains... at 98%
2i6bRCSB PDB    PDBbind345aa, >2I6B_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4pvvRCSB PDB    PDBbindHO4
Entry Information
PDB ID4o1l
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAdenosine kinase ADK
Ligand NameHO4
EC.Number E.C.2.7.1.20
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=0.20uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 8268-8279
Ligand Properties
Formula C13H14N4O4
Molecular Weight 290.275
Exact Mass 290.102
No. of atoms 35
No. of bonds 37
Polar Surface Area 126.65
LOGP Value -1.10      (Computed with XLOGP3)
-0.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
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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