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Related entries of code: 4rxe
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2i19RCSB PDB    PDBbind390aa, >2I19_1|Chains... at 100%
2p1cRCSB PDB    PDBbind390aa, >2P1C_1|Chains... at 100%
3egtRCSB PDB    PDBbind413aa, >3EGT_1|Chains... *
4rxcRCSB PDB    PDBbind390aa, >4RXC_1|Chains... at 100%
4rxdRCSB PDB    PDBbind390aa, >4RXD_1|Chains... at 100%
5aelRCSB PDB    PDBbind367aa, >5AEL_1|Chains... at 100%
5afxRCSB PDB    PDBbind367aa, >5AFX_1|Chains... at 100%
5ahuRCSB PDB    PDBbind294aa, >5AHU_2|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 ID4rxe
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTrypanosoma brucei farnesyl diphosphate synthase
Ligand Name3YQ
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=230nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) ACS Med Chem Lett Vol. 6: pp. 349-354
Ligand Properties
Formula C7H14N2O6P2
Molecular Weight 284.143
Exact Mass 284.033
No. of atoms 31
No. of bonds 31
Polar Surface Area 173.48
LOGP Value -2.18      (Computed with XLOGP3)
-0.36      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 1
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): Q86C09  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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