Browse entries in the PDBbind-CN Database

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Related entries of code: 5nau
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1acjRCSB PDB    PDBbind537aa, >1ACJ_1|Chain... at 99%
1amnRCSB PDB    PDBbind537aa, >1AMN_1|Chain... at 100%
1dx6RCSB PDB    PDBbind543aa, >1DX6_1|Chain... at 100%
1e66RCSB PDB    PDBbind543aa, >1E66_1|Chain... at 100%
1eveRCSB PDB    PDBbind543aa, >1EVE_1|Chain... at 100%
1gpkRCSB PDB    PDBbind537aa, >1GPK_1|Chain... at 100%
1gpnRCSB PDB    PDBbind537aa, >1GPN_1|Chain... at 100%
1gqsRCSB PDB    PDBbind532aa, >1GQS_1|Chain... at 100%
1h22RCSB PDB    PDBbind543aa, >1H22_1|Chain... at 100%
1h23RCSB PDB    PDBbind543aa, >1H23_1|Chain... at 100%
1hbjRCSB PDB    PDBbind543aa, >1HBJ_1|Chain... at 100%
1qtiRCSB PDB    PDBbind537aa, >1QTI_1|Chain... at 100%
1u65RCSB PDB    PDBbind543aa, >1U65_1|Chain... at 100%
1votRCSB PDB    PDBbind537aa, >1VOT_1|Chain... at 100%
1w4lRCSB PDB    PDBbind543aa, >1W4L_1|Chain... at 100%
1w6rRCSB PDB    PDBbind543aa, >1W6R_1|Chain... at 100%
1w76RCSB PDB    PDBbind543aa, >1W76_1|Chains... at 100%
1zgbRCSB PDB    PDBbind543aa, >1ZGB_1|Chain... at 100%
2ckmRCSB PDB    PDBbind543aa, >2CKM_1|Chain... at 100%
2cmfRCSB PDB    PDBbind543aa, >2CMF_1|Chain... at 100%
2j3qRCSB PDB    PDBbind543aa, >2J3Q_1|Chain... at 100%
2v96RCSB PDB    PDBbind537aa, >2V96_1|Chains... at 100%
2w6cRCSB PDB    PDBbind586aa, >2W6C_1|Chain... *
3i6mRCSB PDB    PDBbind534aa, >3I6M_1|Chain... at 100%
3i6zRCSB PDB    PDBbind534aa, >3I6Z_1|Chain... at 100%
3zv7RCSB PDB    PDBbind543aa, >3ZV7_1|Chain... at 100%
5bwbRCSB PDB    PDBbind537aa, >5BWB_1|Chain... at 100%
5bwcRCSB PDB    PDBbind537aa, >5BWC_1|Chain... at 100%
5napRCSB PDB    PDBbind543aa, >5NAP_1|Chain... at 100%
6ezgRCSB PDB    PDBbind537aa, >6EZG_1|Chains... at 100%
6ezhRCSB PDB    PDBbind537aa, >6EZH_1|Chains... at 100%
6g1uRCSB PDB    PDBbind565aa, >6G1U_1|Chains... at 100%
6g1vRCSB PDB    PDBbind565aa, >6G1V_1|Chains... at 100%
6g1wRCSB PDB    PDBbind565aa, >6G1W_1|Chains... at 100%
6g4mRCSB PDB    PDBbind537aa, >6G4M_1|Chains... at 100%
6g4nRCSB PDB    PDBbind537aa, >6G4N_1|Chains... at 100%
6h13RCSB PDB    PDBbind565aa, >6H13_1|Chains... at 100%
6h14RCSB PDB    PDBbind565aa, >6H14_1|Chains... at 100%
6h12RCSB PDB    PDBbind565aa, >6H12_1|Chains... at 100%
6ewkRCSB PDB    PDBbind532aa, >6EWK_1|Chain... at 100%
6eucRCSB PDB    PDBbind572aa, >6EUC_1|Chain... at 93%
5nuuRCSB PDB    PDBbind543aa, >5NUU_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5nau
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAcetylcholinesterase
Ligand NameDZ0
EC.Number E.C.3.1.1.7
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)Kd=29.86nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J Enzyme Inhib Med Chem Vol. 33: pp. 794-803
Ligand Properties
Formula C23H26NO2
Molecular Weight 348.458
Exact Mass 348.196
No. of atoms 52
No. of bonds 55
Polar Surface Area 30.74
LOGP Value 4.45      (Computed with XLOGP3)
4.73      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 3
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): P04058  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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