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Related entries of code: 3r0i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1onpRCSB PDB    PDBbind398aa, >1ONP_1|Chains... at 100%
1t1rRCSB PDB    PDBbind398aa, >1T1R_1|Chains... at 99%
1t1sRCSB PDB    PDBbind398aa, >1T1S_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3r0i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand NameC0K
EC.Number E.C.1.1.1.267
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=0.12uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Med.Chem. Vol. 54: pp. 6796-6802
Ligand Properties
Formula C11H15F2NO5P
Molecular Weight 310.211
Exact Mass 310.066
No. of atoms 35
No. of bonds 35
Polar Surface Area 114.82
LOGP Value -0.73      (Computed with XLOGP3)
1.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
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): P45568  
Entrez Gene IDNCBI Entrez Gene ID: 61754847  945019  
ASDInformation of known allosteric effects of PDB entries

 
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