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Related entries of code: 2aq7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1fj4RCSB PDB    PDBbind406aa, >1FJ4_1|Chains... at 100%
2aqbRCSB PDB    PDBbind406aa, >2AQB_1|Chains... at 100%
2vb8RCSB PDB    PDBbind406aa, >2VB8_1|Chains... at 100%
2vbaRCSB PDB    PDBbind406aa, >2VBA_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 ID2aq7
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-oxoacyl-[acyl-carrier-protein] synthase i
Ligand NameTL5
EC.Number E.C.
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=500uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v49 pp. 159-71, 2006
Ligand Properties
Formula C12H16O2S
Molecular Weight 224.319
Exact Mass 224.087
No. of atoms 31
No. of bonds 31
Polar Surface Area 62.6
LOGP Value 3.03      (Computed with XLOGP3)
3.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
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): P0A953  
Entrez Gene IDNCBI Entrez Gene ID: 61754615  946799  
ASDInformation of known allosteric effects of PDB entries

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