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Related entries of code: 2xda
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2c4vRCSB PDB    PDBbind167aa, >2C4V_1|Chain... at 100%
2c4wRCSB PDB    PDBbind176aa, >2C4W_1|Chain... at 95%
2c57RCSB PDB    PDBbind180aa, >2C57_1|Chains... *
2wksRCSB PDB    PDBbind167aa, >2WKS_1|Chains... at 100%
2xb9RCSB PDB    PDBbind167aa, >2XB9_1|Chains... at 100%
2xd9RCSB PDB    PDBbind167aa, >2XD9_1|Chains... at 100%
4b6rRCSB PDB    PDBbind167aa, >4B6R_1|Chains... at 100%
4b6sRCSB PDB    PDBbind167aa, >4B6S_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 ID2xda
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name3-DEHYDROQUINATE DEHYDRATASE
Ligand NameJPS
EC.Number E.C.4.2.1.10
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Ki=0.6uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Chemmedchem Vol. 6: pp. 266
Ligand Properties
Formula C14H18O5S
Molecular Weight 298.355
Exact Mass 298.087
No. of atoms 38
No. of bonds 40
Polar Surface Area 126.23
LOGP Value 1.68      (Computed with XLOGP3)
1.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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): Q48255  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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