Browse entries in the PDBbind-CN Database

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Related entries of code: 6cqt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4m0eRCSB PDB    PDBbind542aa, >4M0E_1|Chains... at 100%
4m0fRCSB PDB    PDBbind542aa, >4M0F_1|Chains... at 100%
6cqzRCSB PDB    PDBbind542aa, >6CQZ_1|Chains... at 100%
6o50RCSB PDB    PDBbind550aa, >6O50_1|Chains... at 99%
6o4xRCSB PDB    PDBbind550aa, >6O4X_1|Chains... at 99%
6o4wRCSB PDB    PDBbind550aa, >6O4W_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6cqzRCSB PDB    PDBbind_VX

Entry Information
PDB ID6cqt
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAcetylcholinesterase
Ligand Name_VX
EC.Number E.C.3.1.1.7
Resolution 2.27(Å)
Affinity (Kd/Ki/IC50)Kd=0.23nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Chem. Res. Toxicol. Vol. 31: pp. 1405-1437
Ligand Properties
Formula C3H9O2P
Molecular Weight 108.076
Exact Mass 108.034
No. of atoms 15
No. of bonds 14
Polar Surface Area 49.77
LOGP Value -0.22      (Computed with XLOGP3)
1.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
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): P22303  
Entrez Gene IDNCBI Entrez Gene ID: 43  
ASDInformation of known allosteric effects of PDB entries

 
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