Browse entries in the PDBbind-CN Database

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Related entries of code: 4a16
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1j07RCSB PDB    PDBbind543aa, >1J07_1|Chains... at 100%
1n5rRCSB PDB    PDBbind543aa, >1N5R_1|Chains... at 100%
1q83RCSB PDB    PDBbind580aa, >1Q83_1|Chains... *
1q84RCSB PDB    PDBbind580aa, >1Q84_1|Chains... at 100%
2ha0RCSB PDB    PDBbind543aa, >2HA0_1|Chains... at 100%
2ha2RCSB PDB    PDBbind543aa, >2HA2_1|Chains... at 100%
2ha3RCSB PDB    PDBbind543aa, >2HA3_1|Chains... at 100%
2ha4RCSB PDB    PDBbind543aa, >2HA4_1|Chains... at 99%
2ha5RCSB PDB    PDBbind543aa, >2HA5_1|Chains... at 99%
2ha6RCSB PDB    PDBbind543aa, >2HA6_1|Chains... at 99%
2ha7RCSB PDB    PDBbind543aa, >2HA7_1|Chains... at 99%
2whpRCSB PDB    PDBbind548aa, >2WHP_2|Chain... at 99%
2xufRCSB PDB    PDBbind544aa, >2XUF_1|Chains... at 99%
2xuiRCSB PDB    PDBbind543aa, >2XUI_1|Chains... at 99%
2xupRCSB PDB    PDBbind543aa, >2XUP_1|Chains... at 99%
3zlvRCSB PDB    PDBbind543aa, >3ZLV_1|Chains... at 100%
4a23RCSB PDB    PDBbind548aa, >4A23_1|Chains... at 99%
4araRCSB PDB    PDBbind548aa, >4ARA_1|Chains... at 99%
4arbRCSB PDB    PDBbind548aa, >4ARB_1|Chains... at 99%
4b7zRCSB PDB    PDBbind548aa, >4B7Z_1|Chains... at 99%
4b80RCSB PDB    PDBbind548aa, >4B80_1|Chains... at 99%
4b81RCSB PDB    PDBbind548aa, >4B81_1|Chains... at 99%
4b82RCSB PDB    PDBbind548aa, >4B82_1|Chains... at 99%
4b83RCSB PDB    PDBbind548aa, >4B83_1|Chains... at 99%
4b84RCSB PDB    PDBbind548aa, >4B84_1|Chains... at 98%
4b85RCSB PDB    PDBbind548aa, >4B85_1|Chains... at 99%
4btlRCSB PDB    PDBbind543aa, >4BTL_1|Chains... at 100%
5dtjRCSB PDB    PDBbind545aa, >5DTJ_1|Chains... at 99%
5ehnRCSB PDB    PDBbind543aa, >5EHN_1|Chains... at 100%
5ehqRCSB PDB    PDBbind543aa, >5EHQ_1|Chains... at 100%
5eieRCSB PDB    PDBbind543aa, >5EIE_1|Chains... at 100%
5fkjRCSB PDB    PDBbind543aa, >5FKJ_1|Chains... at 100%
5fppRCSB PDB    PDBbind548aa, >5FPP_1|Chains... at 99%
5fumRCSB PDB    PDBbind548aa, >5FUM_1|Chains... at 99%
5ov9RCSB PDB    PDBbind548aa, >5OV9_1|Chains... at 99%
6fsdRCSB PDB    PDBbind548aa, >6FSD_1|Chains... at 99%
6fseRCSB PDB    PDBbind548aa, >6FSE_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4a16
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameACETYLCHOLINESTERASE
Ligand NameH34
EC.Number E.C.3.1.1.7
Resolution 2.65(Å)
Affinity (Kd/Ki/IC50)IC50=0.43nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Chemmedchem Vol. 7: pp. 400
Ligand Properties
Formula C23H26ClN5O
Molecular Weight 423.938
Exact Mass 423.183
No. of atoms 56
No. of bonds 60
Polar Surface Area 89.85
LOGP Value 2.82      (Computed with XLOGP3)
4.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
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): P21836  
Entrez Gene IDNCBI Entrez Gene ID: 11423  
ASDInformation of known allosteric effects of PDB entries
 
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