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Related entries of code: 4c72
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4c6uRCSB PDB    PDBbind439aa, >4C6U_1|Chain... *
4c6vRCSB PDB    PDBbind439aa, >4C6V_1|Chain... at 100%
4c6xRCSB PDB    PDBbind439aa, >4C6X_1|Chains... at 99%
4c6zRCSB PDB    PDBbind439aa, >4C6Z_1|Chains... at 99%
4c70RCSB PDB    PDBbind439aa, >4C70_1|Chains... at 99%
4c71RCSB PDB    PDBbind439aa, >4C71_1|Chains... at 99%
4c73RCSB PDB    PDBbind439aa, >4C73_1|Chains... at 99%
5ld8RCSB PDB    PDBbind435aa, >5LD8_1|Chains... at 100%
5w2sRCSB PDB    PDBbind439aa, >5W2S_1|Chain... at 99%
5w2qRCSB PDB    PDBbind439aa, >5W2Q_1|Chain... at 99%
5w2pRCSB PDB    PDBbind439aa, >5W2P_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4c6uRCSB PDB    PDBbindTLG
4c6vRCSB PDB    PDBbindTLG
Entry Information
PDB ID4c72
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1
Ligand NameTLG
EC.Number E.C.2.3.1.41
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Ki=8.2uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Biol.Chem. Vol. 288: pp. 34190-34204
Ligand Properties
Formula C12H14O3S
Molecular Weight 238.303
Exact Mass 238.066
No. of atoms 30
No. of bonds 30
Polar Surface Area 79.67
LOGP Value 2.87      (Computed with XLOGP3)
2.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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