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Related entries of code: 3e81
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
3b50RCSB PDB    PDBbindSLB
4mmpRCSB PDB    PDBbindSLB
4mnpRCSB PDB    PDBbindSLB
5z99RCSB PDB    PDBbindSLB
6h76RCSB PDB    PDBbindSLB
6h75RCSB PDB    PDBbindSLB

Entry Information
PDB ID3e81
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAcylneuraminate cytidylyltransferase
Ligand NameSLB
EC.Number E.C.-.-.-.-
Resolution 1.63(Å)
Affinity (Kd/Ki/IC50)Ki=37mM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Biol.Chem. Vol. 284: pp. 1224-1233
Ligand Properties
Formula C11H19NO9
Molecular Weight 309.270
Exact Mass 309.106
No. of atoms 40
No. of bonds 40
Polar Surface Area 176.78
LOGP Value -2.58      (Computed with XLOGP3)
-3.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 10
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): Q8A712  
Entrez Gene IDNCBI Entrez Gene ID: 60927701  
ASDInformation of known allosteric effects of PDB entries

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