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Related entries of code: 1fj4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2aq7RCSB PDB    PDBbind406aa, >2AQ7_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
2vb8RCSB PDB    PDBbindTLM
4c6xRCSB PDB    PDBbindTLM
Entry Information
PDB ID1fj4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebeta-ketoacyl-[acyl carrier protein] synthase i
Ligand NameTLM
EC.Number E.C.2.3.1.41
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)Kd=26uM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v276 pp. 6551-9, 2001
Ligand Properties
Formula C11H14O2S
Molecular Weight 210.293
Exact Mass 210.071
No. of atoms 28
No. of bonds 28
Polar Surface Area 62.6
LOGP Value 2.80      (Computed with XLOGP3)
2.98      (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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