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Related entries of code: 4h4e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4h4dRCSB PDB    PDBbind323aa, >4H4D_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4h4e
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name4-hydroxy-3-methylbut-2-enyl diphosphate reductase
Ligand Name10G
EC.Number E.C.1.17.1.2
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)IC50=0.21uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Angew.Chem.Int.Ed.Engl. Vol. 52: pp. 2118-2121
Ligand Properties
Formula C5H14O7P2S
Molecular Weight 280.173
Exact Mass 279.994
No. of atoms 29
No. of bonds 28
Polar Surface Area 185.59
LOGP Value -1.67      (Computed with XLOGP3)
0.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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): P62623  
Entrez Gene IDNCBI Entrez Gene ID: 61734146  944777  
ASDInformation of known allosteric effects of PDB entries

 
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