Browse entries in the PDBbind-CN Database

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Related entries of code: 1nu1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ntkRCSB PDB    PDBbind56aa, >1NTK_11|Chain... *
1sqbRCSB PDB    PDBbind56aa, >1SQB_11|Chain... at 98%
1sqpRCSB PDB    PDBbind56aa, >1SQP_11|Chain... at 98%
1sqqRCSB PDB    PDBbind56aa, >1SQQ_11|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1nu1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebc1
Ligand NameQNO
EC.Number E.C.1.10.2.2
Resolution 3.2(Å)
Affinity (Kd/Ki/IC50)Kd=64nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry. (2003) 42, pp. 9067-80
Ligand Properties
Formula C18H25NO2
Molecular Weight 287.397
Exact Mass 287.189
No. of atoms 46
No. of bonds 47
Polar Surface Area 45.69
LOGP Value 5.28      (Computed with XLOGP3)
5.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
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): P00125  P00126  P00129  P00130  P00157  P07552  P13271  P13272  P23004  P31800  
Entrez Gene IDNCBI Entrez Gene ID: 512500  613899  616871  616109  3283889  281570  286885  287020  282394  282393  
ASDInformation of known allosteric effects of PDB entries

 
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