Browse entries in the PDBbind-CN Database

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Related entries of code: 5ehi
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%
5eifRCSB PDB    PDBbind276aa, >5EIF_1|Chains... at 98%
5eiwRCSB PDB    PDBbind276aa, >5EIW_1|Chains... at 98%
5ekxRCSB PDB    PDBbind276aa, >5EKX_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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5ehi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDENV MTase
Ligand Name5O3
EC.Number E.C.2.7.7.48
Resolution 1.3(Å)
Affinity (Kd/Ki/IC50)IC50=452uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Eur.J.Med.Chem. Vol. 125: pp. 865-880
Ligand Properties
Formula C20H17ClN4O5S
Molecular Weight 460.891
Exact Mass 460.061
No. of atoms 48
No. of bonds 50
Polar Surface Area 159
LOGP Value 3.57      (Computed with XLOGP3)
5.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
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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