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Related entries of code: 3loo
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
3bhoRCSB PDB    PDBbindB4P

Entry Information
PDB ID3loo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAnopheles gambiae adenosine kinase,AgAK
Ligand NameB4P
EC.Number E.C.2.7.1.20
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=860nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference(2011) Biochemistry Vol. 50: pp. 1885-1893
Ligand Properties
Formula C20H32N10O19P4
Molecular Weight 840.419
Exact Mass 840.080
No. of atoms 85
No. of bonds 90
Polar Surface Area 500.97
LOGP Value -8.62      (Computed with XLOGP3)
-3.04      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 29
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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