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Related entries of code: 6fba
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6fba
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAspartate transcarbamoylase
Ligand NameD48
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=19.9uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Biochem. Biophys. Res. Commun. Vol. 497: pp. 835-842
Ligand Properties
Formula C10H8O2
Molecular Weight 160.169
Exact Mass 160.052
No. of atoms 20
No. of bonds 21
Polar Surface Area 40.46
LOGP Value 2.46      (Computed with XLOGP3)
2.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
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): O15804  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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