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Related entries of code: 1ppw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1nfsRCSB PDB    PDBbind183aa, >1NFS_1|Chains... *
1q54RCSB PDB    PDBbind183aa, >1Q54_1|Chains... at 99%
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 ID1ppw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameisopentenyl diphosphate delta-isomerase
Ligand NameEIP
EC.Number E.C.5.3.3.2
Resolution 2.21(Å)
Affinity (Kd/Ki/IC50)IC50=50uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference J.Am.Chem.Soc. v127 pp. 536-7, 2005
Ligand Properties
Formula C5H14O8P2
Molecular Weight 264.107
Exact Mass 264.016
No. of atoms 29
No. of bonds 28
Polar Surface Area 167.02
LOGP Value -2.64      (Computed with XLOGP3)
-0.73      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
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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