Browse entries in the PDBbind-CN Database

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Related entries of code: 2wks
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... *
2xb9RCSB PDB    PDBbind167aa, >2XB9_1|Chains... at 100%
2xd9RCSB PDB    PDBbind167aa, >2XD9_1|Chains... at 100%
2xdaRCSB PDB    PDBbind167aa, >2XDA_1|Chain... 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
2y71RCSB PDB    PDBbindCB6
Entry Information
PDB ID2wks
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-dehydroquinate dehydratase
Ligand NameCB6
EC.Number E.C.4.2.2.10
Resolution 2.95(Å)
Affinity (Kd/Ki/IC50)Ki=130nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Med.Chem. -208
Ligand Properties
Formula C17H18O6S
Molecular Weight 350.386
Exact Mass 350.082
No. of atoms 42
No. of bonds 44
Polar Surface Area 135.46
LOGP Value 1.97      (Computed with XLOGP3)
1.55      (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: 6
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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