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Related entries of code: 1ecq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ec9RCSB PDB    PDBbind446aa, >1EC9_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 ID1ecq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameglucarate dehydratase
Ligand NameDXG
EC.Number E.C.4.2.1.40
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=1.0mM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v39 pp. 4590-602, 2000
Ligand Properties
Formula C6H10O7
Molecular Weight 194.139
Exact Mass 194.043
No. of atoms 23
No. of bonds 22
Polar Surface Area 135.29
LOGP Value -0.38      (Computed with XLOGP3)
-2.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 6
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): P0AES2  
Entrez Gene IDNCBI Entrez Gene ID: 947258  
ASDInformation of known allosteric effects of PDB entries

 
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