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Related entries of code: 3az8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3az9RCSB PDB    PDBbind154aa, >3AZ9_1|Chains... at 100%
3azaRCSB PDB    PDBbind154aa, >3AZA_1|Chains... at 100%
3azbRCSB PDB    PDBbind154aa, >3AZB_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 ID3az8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-hydroxyacyl-ACP dehydratase
Ligand NameS21
EC.Number E.C.4.2.1
Resolution 3.1(Å)
Affinity (Kd/Ki/IC50)Kd~1uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Struct.Biol. Vol. 176: pp. 238-249
Ligand Properties
Formula C10H6F3NO4
Molecular Weight 261.154
Exact Mass 261.025
No. of atoms 24
No. of bonds 24
Polar Surface Area 79.96
LOGP Value 2.40      (Computed with XLOGP3)
2.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
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): Q965D7  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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