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Related entries of code: 4x47
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4x49RCSB PDB    PDBbind489aa, >4X49_1|Chain... at 100%
4x6kRCSB PDB    PDBbind486aa, >4X6K_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1f8bRCSB PDB    PDBbindDAN
1ms0RCSB PDB    PDBbindDAN
1n1tRCSB PDB    PDBbindDAN
1n1vRCSB PDB    PDBbindDAN
1nnbRCSB PDB    PDBbindDAN
1vcuRCSB PDB    PDBbindDAN
1wcqRCSB PDB    PDBbindDAN
2cexRCSB PDB    PDBbindDAN
2qwcRCSB PDB    PDBbindDAN
2simRCSB PDB    PDBbindDAN
2vk6RCSB PDB    PDBbindDAN
2vw1RCSB PDB    PDBbindDAN
2ya6RCSB PDB    PDBbindDAN
6s0eRCSB PDB    PDBbindDAN
6cklRCSB PDB    PDBbindDAN
Entry Information
PDB ID4x47
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameintramolecular trans-sialidase from Ruminococcus gnavus
Ligand NameDAN
EC.Number E.C.3.2.1.18
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=1.41mM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Nat Commun Vol. 6: pp. 7624-7624
Ligand Properties
Formula C11H17NO8
Molecular Weight 291.255
Exact Mass 291.095
No. of atoms 37
No. of bonds 37
Polar Surface Area 156.55
LOGP Value -1.61      (Computed with XLOGP3)
-2.68      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 1
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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