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Related entries of code: 3tfu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4mqpRCSB PDB    PDBbind457aa, >4MQP_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 ID3tfu
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name7,8-diaminopelargonic acid synthase (BioA)
Ligand NamePL8
EC.Number E.C.2.6.1.62
Resolution 1.94(Å)
Affinity (Kd/Ki/IC50)Ki=520uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Am.Chem.Soc. Vol. 133: pp. 18194-18201
Ligand Properties
Formula C16H21N3O7P
Molecular Weight 398.328
Exact Mass 398.112
No. of atoms 48
No. of bonds 49
Polar Surface Area 178.65
LOGP Value -2.03      (Computed with XLOGP3)
-0.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 10
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): P9WQ81  
Entrez Gene IDNCBI Entrez Gene ID: 45425552  886343  
ASDInformation of known allosteric effects of PDB entries
 
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