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Related entries of code: 3eor
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2amtRCSB PDB    PDBbind159aa, >2AMT_1|Chains... at 100%
2gzlRCSB PDB    PDBbind159aa, >2GZL_1|Chain... at 100%
3elcRCSB PDB    PDBbind165aa, >3ELC_1|Chains... *
3ernRCSB PDB    PDBbind165aa, >3ERN_1|Chains... at 100%
3esjRCSB PDB    PDBbind165aa, >3ESJ_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 ID3eor
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Ligand NameCFV
EC.Number E.C.
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)Kd=40mM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Med.Chem. Vol. 52: pp. 2531-2542
Ligand Properties
Formula C8H15N3O6P
Molecular Weight 280.195
Exact Mass 280.070
No. of atoms 33
No. of bonds 33
Polar Surface Area 165.38
LOGP Value -3.36      (Computed with XLOGP3)
-2.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
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): P62617  
Entrez Gene IDNCBI Entrez Gene ID: 61754363  945057  
ASDInformation of known allosteric effects of PDB entries

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