Browse entries in the PDBbind-CN Database

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Related entries of code: 4b6s
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%
4b6rRCSB PDB    PDBbind167aa, >4B6R_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4b6pRCSB PDB    PDBbind2HN

Entry Information
PDB ID4b6s
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name3-DEHYDROQUINATE DEHYDRATASE
Ligand Name2HN
EC.Number E.C.4.2.1.10
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=970nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Acs Chem.Biol.
Ligand Properties
Formula C14H11F5O6
Molecular Weight 370.226
Exact Mass 370.048
No. of atoms 36
No. of bonds 37
Polar Surface Area 115.06
LOGP Value 1.01      (Computed with XLOGP3)
0.05      (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: 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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