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Related entries of code: 3e12
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jcxRCSB PDB    PDBbind267aa, >1JCX_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3e12
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name2-dehydro-3-deoxyphosphooctonate aldolase
Ligand NameKD0
EC.Number E.C.2.5.1.55
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=1.02uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochemistry Vol. 48: pp. 3610-3630
Ligand Properties
Formula C8H16O11P
Molecular Weight 319.180
Exact Mass 319.043
No. of atoms 36
No. of bonds 35
Polar Surface Area 218.8
LOGP Value -3.92      (Computed with XLOGP3)
-3.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 11
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): O66496  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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