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Related entries of code: 3ies
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4e5dRCSB PDB    PDBbind550aa, >4E5D_1|Chain... at 100%
5wysRCSB PDB    PDBbind550aa, >5WYS_1|Chain... 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 ID3ies
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namefirefly Luciferin 4-monooxygenase
Ligand NameM24
EC.Number E.C.1.13.12.7
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=120pM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Proc.Natl.Acad.Sci.USA Vol. 107: pp. 4878-4883
Ligand Properties
Formula C25H22FN7O9P
Molecular Weight 614.456
Exact Mass 614.120
No. of atoms 65
No. of bonds 70
Polar Surface Area 247.81
LOGP Value 0.24      (Computed with XLOGP3)
2.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 6
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): P08659  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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