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Related entries of code: 2fie
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ftaRCSB PDB    PDBbind337aa, >1FTA_1|Chains... at 99%
1q9dRCSB PDB    PDBbind337aa, >1Q9D_1|Chains... at 90%
2fhyRCSB PDB    PDBbind374aa, >2FHY_1|Chains... *
2fixRCSB PDB    PDBbind338aa, >2FIX_1|Chains... at 100%
2jjkRCSB PDB    PDBbind338aa, >2JJK_1|Chains... at 100%
2wbbRCSB PDB    PDBbind338aa, >2WBB_1|Chains... at 100%
2wbdRCSB PDB    PDBbind338aa, >2WBD_1|Chains... at 100%
2y5kRCSB PDB    PDBbind338aa, >2Y5K_1|Chains... at 100%
2y5lRCSB PDB    PDBbind338aa, >2Y5L_1|Chains... at 100%
3a29RCSB PDB    PDBbind337aa, >3A29_1|Chains... at 100%
3kbzRCSB PDB    PDBbind337aa, >3KBZ_1|Chains... at 100%
3kc0RCSB PDB    PDBbind337aa, >3KC0_1|Chains... at 100%
3kc1RCSB PDB    PDBbind337aa, >3KC1_1|Chains... at 100%
4mjoRCSB PDB    PDBbind338aa, >4MJO_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2fie
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namefructose-1,6-bisphosphatase 1
Ligand NameA74
EC.Number E.C.3.1.3.11
Resolution 2.81(Å)
Affinity (Kd/Ki/IC50)IC50=3.5uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem.Lett. v16 pp. 1807-10, 2006
Ligand Properties
Formula C20H15Cl2N3O5S
Molecular Weight 480.321
Exact Mass 479.011
No. of atoms 46
No. of bonds 49
Polar Surface Area 111.93
LOGP Value 4.71      (Computed with XLOGP3)
6.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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): P09467  
Entrez Gene IDNCBI Entrez Gene ID: 2203  
ASDInformation of known allosteric effects of PDB entries
 
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