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Related entries of code: 4dwb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1yhmRCSB PDB    PDBbind362aa, >1YHM_1|Chains... *
4dwgRCSB PDB    PDBbind362aa, >4DWG_1|Chain... at 100%
4dxjRCSB PDB    PDBbind362aa, >4DXJ_1|Chains... at 100%
4dzwRCSB PDB    PDBbind362aa, >4DZW_1|Chain... at 100%
4e1eRCSB PDB    PDBbind361aa, >4E1E_1|Chain... 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 ID4dwb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFarnesyl pyrophosphate synthase
Ligand Name0M7
EC.Number E.C.2.5.1.10
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=1840nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 6445-6454
Ligand Properties
Formula C7H22NO6P2
Molecular Weight 278.200
Exact Mass 278.092
No. of atoms 38
No. of bonds 37
Polar Surface Area 165.17
LOGP Value -4.50      (Computed with XLOGP3)
-1.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 0
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): Q95WL3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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