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Related entries of code: 1nfs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ppwRCSB PDB    PDBbind183aa, >1PPW_1|Chains... at 100%
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
2vnpRCSB PDB    PDBbindDED

Entry Information
PDB ID1nfs
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameisopentenyl diphosphate delta-isomerase
Ligand NameDED
EC.Number E.C.5.3.3.2
Resolution 1.96(Å)
Affinity (Kd/Ki/IC50)Kd<0.12nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v278 pp. 11903-8, 2003
Ligand Properties
Formula C4H16NO7P2
Molecular Weight 252.120
Exact Mass 252.040
No. of atoms 30
No. of bonds 29
Polar Surface Area 151.23
LOGP Value -5.13      (Computed with XLOGP3)
-2.52      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
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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