Browse entries in the PDBbind-CN Database

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Related entries of code: 3fsj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mczRCSB PDB    PDBbind528aa, >1MCZ_1|Chains... at 100%
3f6eRCSB PDB    PDBbind525aa, >3F6E_1|Chain... at 100%
3fznRCSB PDB    PDBbind534aa, >3FZN_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3d7kRCSB PDB    PDBbindD7K
3fznRCSB PDB    PDBbindD7K
3iaeRCSB PDB    PDBbindD7K
Entry Information
PDB ID3fsj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBenzoylformate decarboxylase
Ligand NameD7K
EC.Number E.C.4.1.1.7
Resolution 1.37(Å)
Affinity (Kd/Ki/IC50)Kd=0.113mM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochemistry Vol. 48: pp. 3247-3257
Ligand Properties
Formula C20H50N4O11P3S
Molecular Weight 647.617
Exact Mass 647.241
No. of atoms 89
No. of bonds 91
Polar Surface Area 320.9
LOGP Value -4.47      (Computed with XLOGP3)
0.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 15
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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