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Related entries of code: 3tdc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ff6RCSB PDB    PDBbind760aa, >3FF6_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3tdc
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAcetyl-CoA carboxylase 2 variant
Ligand Name0EU
EC.Number E.C.6.4.1.2
Resolution 2.41(Å)
Affinity (Kd/Ki/IC50)IC50=5.4nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Bioorg. Med. Chem. Lett. Vol. 21: pp. 6314-6318
Ligand Properties
Formula C27H37N4O4S
Molecular Weight 513.672
Exact Mass 513.254
No. of atoms 73
No. of bonds 77
Polar Surface Area 120.42
LOGP Value 4.17      (Computed with XLOGP3)
5.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
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): O00763  
Entrez Gene IDNCBI Entrez Gene ID: 32  
ASDInformation of known allosteric effects of PDB entries

 
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