Browse entries in the PDBbind-CN Database

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Related entries of code: 2xui
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%
2xupRCSB PDB    PDBbind543aa, >2XUP_1|Chains... at 99%
3zlvRCSB PDB    PDBbind543aa, >3ZLV_1|Chains... at 100%
4a16RCSB PDB    PDBbind545aa, >4A16_1|Chains... at 99%
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
1q83RCSB PDB    PDBbindTZ5
2xupRCSB PDB    PDBbindTZ5
Entry Information
PDB ID2xui
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemouse acetylcholinesterase (AChE)-Y337A-TZ2PA6
Ligand NameTZ5
EC.Number E.C.3.1.1.7
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Kd=1.0fM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Am.Chem.Soc. Vol. 132: pp. 18292-18300
Ligand Properties
Formula C42H42N8
Molecular Weight 658.836
Exact Mass 658.353
No. of atoms 92
No. of bonds 99
Polar Surface Area 110.91
LOGP Value 8.17      (Computed with XLOGP3)
9.94      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 8
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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