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Related entries of code: 4q9o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4q9mRCSB PDB    PDBbind246aa, >4Q9M_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4q9mRCSB PDB    PDBbind2ZW
Entry Information
PDB ID4q9o
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameIsoprenyl transferase UPPs
Ligand Name2ZW
EC.Number E.C.2.5.1
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=1.7uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Protein Sci. Vol. 24: pp. 20-26
Ligand Properties
Formula C20H19ClN2O2
Molecular Weight 354.830
Exact Mass 354.114
No. of atoms 44
No. of bonds 46
Polar Surface Area 55.13
LOGP Value 5.02      (Computed with XLOGP3)
5.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
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): Q8DRB3  
Entrez Gene IDNCBI Entrez Gene ID: 60232682  61430680  
ASDInformation of known allosteric effects of PDB entries
 
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