Browse entries in the PDBbind-CN Database

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Related entries of code: 5ekx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2j7wRCSB PDB    PDBbind635aa, >2J7W_1|Chain... at 98%
3p8zRCSB PDB    PDBbind267aa, >3P8Z_1|Chains... at 96%
3vwsRCSB PDB    PDBbind635aa, >3VWS_1|Chain... at 98%
4ctjRCSB PDB    PDBbind276aa, >4CTJ_1|Chains... at 98%
4ctkRCSB PDB    PDBbind276aa, >4CTK_1|Chains... at 98%
5cuqRCSB PDB    PDBbind267aa, >5CUQ_1|Chains... at 96%
5ehgRCSB PDB    PDBbind276aa, >5EHG_1|Chains... at 98%
5ehiRCSB PDB    PDBbind276aa, >5EHI_1|Chains... at 98%
5eifRCSB PDB    PDBbind276aa, >5EIF_1|Chains... at 98%
5eiwRCSB PDB    PDBbind276aa, >5EIW_1|Chains... at 98%
5f3tRCSB PDB    PDBbind635aa, >5F3T_1|Chain... at 98%
5f3zRCSB PDB    PDBbind635aa, >5F3Z_1|Chain... at 98%
5f41RCSB PDB    PDBbind635aa, >5F41_1|Chain... at 98%
5hmyRCSB PDB    PDBbind635aa, >5HMY_1|Chain... at 98%
5hn0RCSB PDB    PDBbind635aa, >5HN0_1|Chain... at 98%
5iq6RCSB PDB    PDBbind628aa, >5IQ6_1|Chain... at 99%
5jjrRCSB PDB    PDBbind892aa, >5JJR_1|Chain... *
5jjsRCSB PDB    PDBbind892aa, >5JJS_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4mrhRCSB PDB    PDBbind2CQ
Entry Information
PDB ID5ekx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDENV MTase
Ligand Name2CQ
EC.Number E.C.2.7.7.48
Resolution 1.76(Å)
Affinity (Kd/Ki/IC50)IC50=9.3mM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Eur.J.Med.Chem. Vol. 125: pp. 865-880
Ligand Properties
Formula C7H9ClN2
Molecular Weight 156.613
Exact Mass 156.045
No. of atoms 19
No. of bonds 19
Polar Surface Area 52.04
LOGP Value 1.55      (Computed with XLOGP3)
2.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
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): P27915  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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