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Related entries of code: 6ays
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6ayoRCSB PDB    PDBbind238aa, >6AYO_1|Chains... *
6ayqRCSB PDB    PDBbind238aa, >6AYQ_1|Chains... at 100%
6ayrRCSB PDB    PDBbind238aa, >6AYR_1|Chains... at 100%
6aytRCSB PDB    PDBbind238aa, >6AYT_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 ID6ays
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Ligand NameHT6
EC.Number E.C.3.2.2.9
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Ki=0.65nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) ACS Chem. Biol. Vol. 13: pp. 3173-3183
Ligand Properties
Formula C18H30N5OS
Molecular Weight 364.529
Exact Mass 364.217
No. of atoms 55
No. of bonds 57
Polar Surface Area 117.56
LOGP Value 2.30      (Computed with XLOGP3)
3.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 6
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): Q0PC20  
Entrez Gene IDNCBI Entrez Gene ID: 904448  
ASDInformation of known allosteric effects of PDB entries
 
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