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Related entries of code: 1t1s
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%
3r0iRCSB PDB    PDBbind410aa, >3R0I_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 ID1t1s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name1-deoxy-d-xylulose 5-phosphate reductoisomerase
Ligand NameCBQ
EC.Number E.C.1.1.1.267
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=7uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference J.Am.Chem.Soc. v126 pp. 10824-5, 2004
Ligand Properties
Formula C6H11ClN2O6P2
Molecular Weight 304.562
Exact Mass 303.978
No. of atoms 28
No. of bonds 28
Polar Surface Area 173.48
LOGP Value -1.92      (Computed with XLOGP3)
-0.02      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 8
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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