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Related entries of code: 4h4d
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4h4eRCSB PDB    PDBbind323aa, >4H4E_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 ID4h4d
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name4-hydroxy-3-methylbut-2-enyl diphosphate reductase
Ligand Name10E
EC.Number E.C.1.17.1.2
Resolution 1.35(Å)
Affinity (Kd/Ki/IC50)IC50=0.15uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Angew.Chem.Int.Ed.Engl. Vol. 52: pp. 2118-2121
Ligand Properties
Formula C5H16NO7P2
Molecular Weight 264.131
Exact Mass 264.040
No. of atoms 31
No. of bonds 30
Polar Surface Area 174.43
LOGP Value -5.18      (Computed with XLOGP3)
-1.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
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): P62623  
Entrez Gene IDNCBI Entrez Gene ID: 61734146  944777  
ASDInformation of known allosteric effects of PDB entries
 
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