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Related entries of code: 1jcx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3e12RCSB PDB    PDBbind267aa, >3E12_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1g7vRCSB PDB    PDBbindPAI

Entry Information
PDB ID1jcx
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name2-dehydro-3-deoxyphosphooctonate aldolase
Ligand NamePAI
EC.Number E.C.4.1.2.16
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=7.0uM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v40 pp. 15676-83, 2001
Ligand Properties
Formula C9H24NO13P2
Molecular Weight 416.233
Exact Mass 416.072
No. of atoms 49
No. of bonds 48
Polar Surface Area 280.45
LOGP Value -7.84      (Computed with XLOGP3)
-6.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 14
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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