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Related entries of code: 2psj
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2psj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRenilla-luciferin 2-monooxygenase
Ligand NameCEI
EC.Number E.C.1.13.12.5
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=20nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. 374: 1017-1028; Biochemistry: 16, 5217-5220
Ligand Properties
Formula C25H21N3O3
Molecular Weight 411.453
Exact Mass 411.158
No. of atoms 52
No. of bonds 55
Polar Surface Area 95.34
LOGP Value 3.80      (Computed with XLOGP3)
4.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
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): P27652  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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