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Related entries of code: 3f6e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mczRCSB PDB    PDBbind528aa, >1MCZ_1|Chains... at 100%
3fsjRCSB PDB    PDBbind528aa, >3FSJ_1|Chain... at 100%
3fznRCSB PDB    PDBbind534aa, >3FZN_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3f6e
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBenzoylformate decarboxylase
Ligand Name8PA
EC.Number E.C.4.1.1.7
Resolution 1.34(Å)
Affinity (Kd/Ki/IC50)Kd=4.14mM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochemistry Vol. 48: pp. 981-994
Ligand Properties
Formula C20H28N5O8P2S
Molecular Weight 560.478
Exact Mass 560.113
No. of atoms 64
No. of bonds 66
Polar Surface Area 264.88
LOGP Value -0.99      (Computed with XLOGP3)
2.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 3
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): P20906  
Entrez Gene IDNCBI Entrez Gene ID: 45526286  
ASDInformation of known allosteric effects of PDB entries

 
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