Browse entries in the PDBbind-CN Database

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Related entries of code: 1ms0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1f8bRCSB 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
4x47RCSB PDB    PDBbindDAN
6cklRCSB PDB    PDBbindDAN
Entry Information
PDB ID1ms0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTrypanosoma cruzi trans-sialidase
Ligand NameDAN
EC.Number E.C.3.2.1.18
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=1.23mM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg. Med. Chem. Lett., Vol.19, pp.589-596
Ligand Properties
Formula C11H19NO8
Molecular Weight 293.270
Exact Mass 293.111
No. of atoms 39
No. of bonds 39
Polar Surface Area 156.55
LOGP Value -1.82      (Computed with XLOGP3)
-2.80      (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 ACUniProt accession number (AC): Q26966  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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