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Related entries of code: 4b6q
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1h0rRCSB PDB    PDBbind146aa, >1H0R_1|Chain... at 100%
2xb8RCSB PDB    PDBbind146aa, >2XB8_1|Chain... at 100%
2y71RCSB PDB    PDBbind146aa, >2Y71_1|Chain... at 100%
2y76RCSB PDB    PDBbind146aa, >2Y76_1|Chain... at 100%
2y77RCSB PDB    PDBbind146aa, >2Y77_1|Chain... at 100%
3n76RCSB PDB    PDBbind147aa, >3N76_1|Chain... at 100%
3n7aRCSB PDB    PDBbind147aa, >3N7A_1|Chains... at 100%
3n86RCSB PDB    PDBbind147aa, >3N86_1|Chains... at 100%
3n87RCSB PDB    PDBbind147aa, >3N87_1|Chains... at 100%
3n8kRCSB PDB    PDBbind172aa, >3N8K_1|Chains... *
3n8nRCSB PDB    PDBbind147aa, >3N8N_1|Chains... at 100%
4b6oRCSB PDB    PDBbind146aa, >4B6O_1|Chain... at 100%
4b6pRCSB PDB    PDBbind146aa, >4B6P_1|Chain... at 100%
4civRCSB PDB    PDBbind146aa, >4CIV_1|Chain... at 100%
4ciwRCSB PDB    PDBbind146aa, >4CIW_1|Chain... at 100%
4cixRCSB PDB    PDBbind146aa, >4CIX_1|Chain... at 100%
4ciyRCSB PDB    PDBbind146aa, >4CIY_1|Chain... at 100%
4kijRCSB PDB    PDBbind153aa, >4KIJ_1|Chain... at 99%
4kiuRCSB PDB    PDBbind153aa, >4KIU_1|Chains... at 100%
4kiwRCSB PDB    PDBbind167aa, >4KIW_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4b6q
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-DEHYDROQUINATE DEHYDRATASE
Ligand NameBZ5
EC.Number E.C.4.2.1.10
Resolution 1.54(Å)
Affinity (Kd/Ki/IC50)Ki=28nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Acs Chem.Biol.
Ligand Properties
Formula C16H16O6S
Molecular Weight 336.360
Exact Mass 336.067
No. of atoms 39
No. of bonds 41
Polar Surface Area 143.3
LOGP Value 1.53      (Computed with XLOGP3)
0.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 5
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): P9WPX7  
Entrez Gene IDNCBI Entrez Gene ID: 888397  
ASDInformation of known allosteric effects of PDB entries
 
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