Browse entries in the PDBbind-CN Database

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Related entries of code: 6ayt
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%
6aysRCSB PDB    PDBbind238aa, >6AYS_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4ynbRCSB PDB    PDBbind4EH
Entry Information
PDB ID6ayt
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Ligand Name4EH
EC.Number E.C.3.2.2.9
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Ki=1.4nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) ACS Chem. Biol. Vol. 13: pp. 3173-3183
Ligand Properties
Formula C16H20N7OS
Molecular Weight 358.441
Exact Mass 358.145
No. of atoms 45
No. of bonds 48
Polar Surface Area 143.34
LOGP Value -0.28      (Computed with XLOGP3)
1.65      (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: 4
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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