Browse entries in the PDBbind-CN Database

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Related entries of code: 5jnl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4y67RCSB PDB    PDBbind422aa, >4Y67_1|Chains... *
4y6pRCSB PDB    PDBbind422aa, >4Y6P_1|Chains... at 100%
4y6rRCSB PDB    PDBbind422aa, >4Y6R_1|Chains... at 100%
4y6sRCSB PDB    PDBbind422aa, >4Y6S_1|Chains... at 100%
5jazRCSB PDB    PDBbind422aa, >5JAZ_1|Chains... at 100%
5jbiRCSB PDB    PDBbind422aa, >5JBI_1|Chains... at 100%
5jc1RCSB PDB    PDBbind422aa, >5JC1_1|Chains... at 100%
5jmpRCSB PDB    PDBbind422aa, >5JMP_1|Chains... at 100%
5jmwRCSB PDB    PDBbind422aa, >5JMW_1|Chains... at 100%
5jo0RCSB PDB    PDBbind422aa, >5JO0_1|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 ID5jnl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePlasmodium falciparum 1-deoxy-d-xylulose-5-phosphate reductoisomerase (Dxr)
Ligand NameL54
EC.Number E.C.1.1.1.267
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)IC50=0.27uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Chemmedchem Vol. 11: pp. 2024-2036
Ligand Properties
Formula C15H22F3NO5P
Molecular Weight 384.308
Exact Mass 384.119
No. of atoms 47
No. of bonds 47
Polar Surface Area 114.82
LOGP Value 1.17      (Computed with XLOGP3)
2.62      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
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): Q8IKG4  
Entrez Gene IDNCBI Entrez Gene ID: 812223  
ASDInformation of known allosteric effects of PDB entries
 
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