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Related entries of code: 5f1u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5f1vRCSB PDB    PDBbind297aa, >5F1V_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5f1vRCSB PDB    PDBbind3VN
Entry Information
PDB ID5f1u
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namedihydrodipicolinate synthase from Campylobacter jejuni (CjDHDPS) Y110F mutant
Ligand Name3VN
EC.Number E.C.4.3.3.7
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)IC50=400nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Am.Chem.Soc. Vol. 138: pp. 2014-2020
Ligand Properties
Formula C14H32N4O4
Molecular Weight 320.428
Exact Mass 320.242
No. of atoms 54
No. of bonds 53
Polar Surface Area 185.16
LOGP Value -4.87      (Computed with XLOGP3)
-3.50      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
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): Q9PPB4  
Entrez Gene IDNCBI Entrez Gene ID: 905109  
ASDInformation of known allosteric effects of PDB entries
 
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