Browse entries in the PDBbind-CN Database

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Related entries of code: 4to8
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
2bo4RCSB PDB    PDBbindFLC
2yg2RCSB PDB    PDBbindFLC
3ry8RCSB PDB    PDBbindFLC
4nrmRCSB PDB    PDBbindFLC
6abxRCSB PDB    PDBbindFLC
Entry Information
PDB ID4to8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFructose-1,6-bisphosphate aldolase, class II
Ligand NameFLC
EC.Number E.C.4.1.2.13
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=56.9mM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Biochemistry Vol. 53: pp. 7604-7614
Ligand Properties
Formula C6H8O7
Molecular Weight 192.124
Exact Mass 192.027
No. of atoms 21
No. of bonds 20
Polar Surface Area 132.13
LOGP Value 1.76      (Computed with XLOGP3)
-1.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 0
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): W8TRN9  
Entrez Gene IDNCBI Entrez Gene ID: 58067979  
ASDInformation of known allosteric effects of PDB entries
 
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