Browse entries in the PDBbind-CN Database

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Related entries of code: 4b6r
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%
2xdaRCSB PDB    PDBbind167aa, >2XDA_1|Chain... at 100%
4b6sRCSB PDB    PDBbind167aa, >4B6S_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4b6oRCSB PDB    PDBbind3DQ
Entry Information
PDB ID4b6r
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name3-DEHYDROQUINATE DEHYDRATASE
Ligand Name3DQ
EC.Number E.C.4.2.1.10
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=1420nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Acs Chem.Biol.
Ligand Properties
Formula C15H18O7
Molecular Weight 310.299
Exact Mass 310.105
No. of atoms 40
No. of bonds 41
Polar Surface Area 124.29
LOGP Value 0.48      (Computed with XLOGP3)
-0.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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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