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Related entries of code: 2aac
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
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2aac
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namearac
Ligand NameFCB
EC.Number E.C.-.-.-.-
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=6mM
Release Year1997
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v273 pp. 226-37, 1997
Ligand Properties
Formula C6H12O5
Molecular Weight 164.156
Exact Mass 164.068
No. of atoms 23
No. of bonds 23
Polar Surface Area 90.15
LOGP Value -2.09      (Computed with XLOGP3)
-2.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): P0A9E0  
Entrez Gene IDNCBI Entrez Gene ID: 61752690  944780  
ASDInformation of known allosteric effects of PDB entries

 
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