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Related entries of code: 3qiz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ilpRCSB PDB    PDBbind444aa, >2ILP_1|Chains... at 95%
2imaRCSB PDB    PDBbind444aa, >2IMA_1|Chains... at 95%
2imbRCSB PDB    PDBbind444aa, >2IMB_1|Chains... at 95%
3c88RCSB PDB    PDBbind432aa, >3C88_1|Chain... at 97%
3c89RCSB PDB    PDBbind432aa, >3C89_1|Chain... at 97%
3c8aRCSB PDB    PDBbind432aa, >3C8A_1|Chain... at 97%
3c8bRCSB PDB    PDBbind432aa, >3C8B_1|Chain... at 97%
3ddaRCSB PDB    PDBbind430aa, >3DDA_1|Chain... at 98%
3ddbRCSB PDB    PDBbind430aa, >3DDB_1|Chain... at 98%
3ds9RCSB PDB    PDBbind417aa, >3DS9_1|Chain... at 99%
3nf3RCSB PDB    PDBbind425aa, >3NF3_1|Chain... at 98%
3qiyRCSB PDB    PDBbind430aa, >3QIY_1|Chain... at 97%
3qj0RCSB PDB    PDBbind430aa, >3QJ0_1|Chain... at 97%
3qw5RCSB PDB    PDBbind430aa, >3QW5_1|Chain... at 98%
3qw6RCSB PDB    PDBbind430aa, >3QW6_1|Chain... at 98%
3qw7RCSB PDB    PDBbind430aa, >3QW7_1|Chain... at 98%
3qw8RCSB PDB    PDBbind430aa, >3QW8_1|Chain... at 98%
4hevRCSB PDB    PDBbind441aa, >4HEV_1|Chains... at 95%
5tpbRCSB PDB    PDBbind444aa, >5TPB_1|Chains... at 94%
5tpcRCSB PDB    PDBbind425aa, >5TPC_1|Chain... at 99%
5v8pRCSB PDB    PDBbind444aa, >5V8P_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3qiz
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBotulinum neurotoxin type A
Ligand NameQI2
EC.Number E.C.3.4.24.69
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=6.1uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Biochemistry Vol. 50: pp. 4019-4028
Ligand Properties
Formula C24H31F2N2O3
Molecular Weight 433.511
Exact Mass 433.230
No. of atoms 62
No. of bonds 63
Polar Surface Area 60.17
LOGP Value 4.50      (Computed with XLOGP3)
3.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 5
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): P0DPI1  
Entrez Gene IDNCBI Entrez Gene ID: 56879027  
ASDInformation of known allosteric effects of PDB entries
 
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