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Related entries of code: 3efr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3efsRCSB PDB    PDBbind233aa, >3EFS_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1avdRCSB PDB    PDBbindBTN
1df8RCSB PDB    PDBbindBTN
1n43RCSB PDB    PDBbindBTN
1n9mRCSB PDB    PDBbindBTN
1ndjRCSB PDB    PDBbindBTN
1stpRCSB PDB    PDBbindBTN
1swgRCSB PDB    PDBbindBTN
1swkRCSB PDB    PDBbindBTN
1swnRCSB PDB    PDBbindBTN
1swpRCSB PDB    PDBbindBTN
1swrRCSB PDB    PDBbindBTN
2aviRCSB PDB    PDBbindBTN
2c1qRCSB PDB    PDBbindBTN
2f01RCSB PDB    PDBbindBTN
2gh7RCSB PDB    PDBbindBTN
2jgsRCSB PDB    PDBbindBTN
2uywRCSB PDB    PDBbindBTN
2zscRCSB PDB    PDBbindBTN
3ew2RCSB PDB    PDBbindBTN
3rdoRCSB PDB    PDBbindBTN
3t2wRCSB PDB    PDBbindBTN
3wznRCSB PDB    PDBbindBTN
4bcsRCSB PDB    PDBbindBTN
4bj8RCSB PDB    PDBbindBTN
4dveRCSB PDB    PDBbindBTN
4ggzRCSB PDB    PDBbindBTN
4jnjRCSB PDB    PDBbindBTN
Entry Information
PDB ID3efr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBiotin [acetyl-CoA-carboxylase] ligase(R40G)
Ligand NameBTN
EC.Number E.C.6.3.4.15
Resolution 2.55(Å)
Affinity (Kd/Ki/IC50)Kd=8.3uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Mol.Biol. Vol. 387: pp. 129-146
Ligand Properties
Formula C10H16N2O3S
Molecular Weight 244.311
Exact Mass 244.088
No. of atoms 32
No. of bonds 33
Polar Surface Area 103.73
LOGP Value 1.78      (Computed with XLOGP3)
1.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
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): O66837  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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