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Related entries of code: 6c9v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4pvvRCSB PDB    PDBbind324aa, >4PVV_1|Chain... at 99%
6c9sRCSB PDB    PDBbind324aa, >6C9S_1|Chains... at 100%
6c9rRCSB PDB    PDBbind337aa, >6C9R_1|Chains... *
6c9qRCSB PDB    PDBbind331aa, >6C9Q_1|Chain... at 99%
6c9pRCSB PDB    PDBbind324aa, >6C9P_1|Chains... at 100%
6c9nRCSB PDB    PDBbind324aa, >6C9N_1|Chains... at 100%
6c67RCSB PDB    PDBbind324aa, >6C67_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 ID6c9v
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAdenosine kinase
Ligand NameERS
EC.Number E.C.2.7.1.20
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Ki=120.2nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 4483-4499
Ligand Properties
Formula C20H24N6O4
Molecular Weight 412.442
Exact Mass 412.186
No. of atoms 54
No. of bonds 58
Polar Surface Area 120
LOGP Value 0.49      (Computed with XLOGP3)
-0.11      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
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): P9WID5  
Entrez Gene IDNCBI Entrez Gene ID: 45426178  888551  
ASDInformation of known allosteric effects of PDB entries
 
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