Browse entries in the PDBbind-CN Database

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Related entries of code: 6ayq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6ayoRCSB PDB    PDBbind238aa, >6AYO_1|Chains... *
6ayrRCSB PDB    PDBbind238aa, >6AYR_1|Chains... at 100%
6aysRCSB PDB    PDBbind238aa, >6AYS_1|Chains... at 100%
6aytRCSB PDB    PDBbind238aa, >6AYT_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1y6qRCSB PDB    PDBbindTDI
4f2wRCSB PDB    PDBbindTDI
4wkbRCSB PDB    PDBbindTDI
4wknRCSB PDB    PDBbindTDI
4x24RCSB PDB    PDBbindTDI
Entry Information
PDB ID6ayq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCampylobacter jejuni 5'-Methylthioadenosine Nucleosidase
Ligand NameTDI
EC.Number E.C.-.-.-.-
Resolution 1.42(Å)
Affinity (Kd/Ki/IC50)Ki=6.5nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) ACS Chem. Biol. Vol. 13: pp. 3173-3183
Ligand Properties
Formula C13H20N5OS
Molecular Weight 294.396
Exact Mass 294.139
No. of atoms 40
No. of bonds 42
Polar Surface Area 117.56
LOGP Value -0.03      (Computed with XLOGP3)
1.43      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
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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