Browse entries in the PDBbind-CN Database

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Related entries of code: 1i1e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1g9aRCSB PDB    PDBbind1290aa, >1G9A_1|Chain... *
1g9bRCSB PDB    PDBbind1290aa, >1G9B_1|Chain... at 100%
1g9cRCSB PDB    PDBbind1290aa, >1G9C_1|Chain... at 100%
1g9dRCSB PDB    PDBbind1290aa, >1G9D_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5mraRCSB PDB    PDBbindDM2
5om7RCSB PDB    PDBbindDM2
6ftpRCSB PDB    PDBbindDM2
Entry Information
PDB ID1i1e
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namebotulinum neurotoxin type b
Ligand NameDM2
EC.Number E.C.3.4.24.69
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=9.4uM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference Acta Crystallogr., Sect.D v57 pp. 1743-6, 2001
Ligand Properties
Formula C27H32NO11
Molecular Weight 546.543
Exact Mass 546.198
No. of atoms 71
No. of bonds 75
Polar Surface Area 214.01
LOGP Value 2.06      (Computed with XLOGP3)
0.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 5
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): P10844  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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