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Related entries of code: 6ckl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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Entry Information
PDB ID6ckl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameN-acylneuraminate cytidylyltransferase
Ligand NameDAN
EC.Number E.C.2.7.7.43
Resolution 2.68(Å)
Affinity (Kd/Ki/IC50)IC50=130uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Biochemistry Vol. : pp. -
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 ACUniProt accession number (AC): P0A0Z8  
Entrez Gene IDNCBI Entrez Gene ID: 61282335  
ASDInformation of known allosteric effects of PDB entries
 
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