Browse entries in the PDBbind-CN Database

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Related entries of code: 3otx
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
2bzzRCSB PDB    PDBbindAP5
4w5jRCSB PDB    PDBbindAP5
4x8oRCSB PDB    PDBbindAP5
5ejeRCSB PDB    PDBbindAP5
Entry Information
PDB ID3otx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAdenosine kinase, putative
Ligand NameAP5
EC.Number E.C.2.7.1.20
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)IC50=29.4uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Plos Negl Trop Dis Vol. 5: pp. e1164-e1164
Ligand Properties
Formula C20H34N10O22P5
Molecular Weight 921.407
Exact Mass 921.054
No. of atoms 91
No. of bonds 96
Polar Surface Area 564.25
LOGP Value -9.80      (Computed with XLOGP3)
-3.36      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 6
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): Q584S0  
Entrez Gene IDNCBI Entrez Gene ID: 3657872  
ASDInformation of known allosteric effects of PDB entries
 
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