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Related entries of code: 2q9y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1yyrRCSB PDB    PDBbind374aa, >1YYR_1|Chains... *
1yysRCSB PDB    PDBbind374aa, >1YYS_1|Chains... at 100%
2aelRCSB PDB    PDBbind374aa, >2AEL_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2q9y
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTrichodiene synthase
Ligand NameBTM
EC.Number E.C.
Resolution 2.85(Å)
Affinity (Kd/Ki/IC50)Ki=36uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Arch.Biochem.Biophys. Vol. 466: pp. 260-266
Ligand Properties
Formula C13H22N
Molecular Weight 192.320
Exact Mass 192.175
No. of atoms 36
No. of bonds 36
Polar Surface Area 0
LOGP Value 2.87      (Computed with XLOGP3)
3.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 1
No. of Rings: 1
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): P13513  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

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