Browse entries in the PDBbind-CN Database

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Related entries of code: 1g9a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1g9bRCSB PDB    PDBbind1290aa, >1G9B_1|Chain... at 100%
1g9cRCSB PDB    PDBbind1290aa, >1G9C_1|Chain... at 100%
1g9dRCSB PDB    PDBbind1290aa, >1G9D_1|Chain... at 100%
1i1eRCSB PDB    PDBbind1290aa, >1I1E_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1c1vRCSB PDB    PDBbindBAB
1g9bRCSB PDB    PDBbindBAB
1g9cRCSB PDB    PDBbindBAB
1g9dRCSB PDB    PDBbindBAB
1xugRCSB PDB    PDBbindBAB
Entry Information
PDB ID1g9a
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebotulinum neurotoxin type b
Ligand NameBAB
EC.Number E.C.3.4.24.69
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=5uM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference BIOCHEMISTRY v41 pp. 9795-802, 2002
Ligand Properties
Formula C17H18N8
Molecular Weight 334.378
Exact Mass 334.165
No. of atoms 43
No. of bonds 46
Polar Surface Area 160.58
LOGP Value 4.62      (Computed with XLOGP3)
-0.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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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