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Related entries of code: 6fns
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4pinRCSB PDB    PDBbind323aa, >4PIN_1|Chains... *
4pioRCSB PDB    PDBbind323aa, >4PIO_1|Chains... at 100%
6fnqRCSB PDB    PDBbind323aa, >6FNQ_1|Chains... at 100%
6fnrRCSB PDB    PDBbind323aa, >6FNR_1|Chains... at 100%
6fntRCSB PDB    PDBbind323aa, >6FNT_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 ID6fns
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameErgothioneine-biosynthetic methyltransferase D(EgtD)
Ligand NameDY8
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Kd=93uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) ACS Chem. Biol. Vol. 13: pp. 1333-1342
Ligand Properties
Formula C10H16N3O3
Molecular Weight 226.252
Exact Mass 226.119
No. of atoms 32
No. of bonds 33
Polar Surface Area 79.65
LOGP Value -1.75      (Computed with XLOGP3)
-0.11      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
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): A0R5M8  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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