Browse entries in the PDBbind-CN Database

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Related entries of code: 1yys
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1yyrRCSB PDB    PDBbind374aa, >1YYR_1|Chains... *
2aelRCSB PDB    PDBbind374aa, >2AEL_1|Chains... at 99%
2q9yRCSB PDB    PDBbind374aa, >2Q9Y_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1yyrRCSB PDB    PDBbindSAZ
2aelRCSB PDB    PDBbindSAZ

Entry Information
PDB ID1yys
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nametrichodiene synthase
Ligand NameSAZ
EC.Number E.C.4.2.3.6
Resolution 2.75(Å)
Affinity (Kd/Ki/IC50)Ki=0.47uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v44 pp. 6153-63, 2005
Ligand Properties
Formula C14H26N
Molecular Weight 208.363
Exact Mass 208.207
No. of atoms 41
No. of bonds 41
Polar Surface Area 4.44
LOGP Value 3.72      (Computed with XLOGP3)
2.36      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 4
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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