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Related entries of code: 1q54
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1nfsRCSB PDB    PDBbind183aa, >1NFS_1|Chains... *
1ppwRCSB PDB    PDBbind183aa, >1PPW_1|Chains... at 100%
2vnpRCSB PDB    PDBbind183aa, >2VNP_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 ID1q54
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameisopentenyl diphosphate delta-isomerase
Ligand NameBHI
EC.Number E.C.5.3.3.2
Resolution 1.93(Å)
Affinity (Kd/Ki/IC50)Ki=1.4uM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference J.Am.Chem.Soc. v125 pp. 3198-9, 2003
Ligand Properties
Formula C5H15BrO8P2
Molecular Weight 345.019
Exact Mass 343.943
No. of atoms 31
No. of bonds 30
Polar Surface Area 167.02
LOGP Value -2.21      (Computed with XLOGP3)
-0.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
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): Q46822  
Entrez Gene IDNCBI Entrez Gene ID: 949020  
ASDInformation of known allosteric effects of PDB entries
 
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