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Related entries of code: 3n9r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3c52RCSB PDB    PDBbind307aa, >3C52_1|Chains... *
3c56RCSB PDB    PDBbind307aa, >3C56_1|Chains... at 100%
3n9sRCSB PDB    PDBbind307aa, >3N9S_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3n9r
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameFructose-bisphosphate aldolase(Class II Fba from h. pylori)
Ligand NameTD3
EC.Number E.C.4.1.2.13
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=70nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Med.Chem. Vol. 53: pp. 7836-7842
Ligand Properties
Formula C6H15NO7P
Molecular Weight 244.160
Exact Mass 244.059
No. of atoms 30
No. of bonds 29
Polar Surface Area 144.28
LOGP Value -2.65      (Computed with XLOGP3)
-1.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
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): D0IR47  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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