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Related entries of code: 5afx
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%
4rxeRCSB PDB    PDBbind390aa, >4RXE_1|Chains... at 100%
5aelRCSB PDB    PDBbind367aa, >5AEL_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 ID5afx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameT. Brucei Farnesyl Diphosphate Synthase, TbFPPS
Ligand NamePVZ
EC.Number E.C.2.5.1.10
Resolution 2.39(Å)
Affinity (Kd/Ki/IC50)IC50=1.2uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Antimicrob.Agents Chemother. Vol. 59: pp. 1-22
Ligand Properties
Formula C14H31N2O7P2
Molecular Weight 401.353
Exact Mass 401.161
No. of atoms 56
No. of bonds 56
Polar Surface Area 178.65
LOGP Value -0.61      (Computed with XLOGP3)
1.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
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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