Browse entries in the PDBbind-CN Database

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Related entries of code: 1q84
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... *
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%
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
2xufRCSB PDB    PDBbindTZ4
Entry Information
PDB ID1q84
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameacetylcholinesterase
Ligand NameTZ4
EC.Number E.C.3.1.1.7
Resolution 2.45(Å)
Affinity (Kd/Ki/IC50)Ki=8900fM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Proc.Natl.Acad.Sci.USAv101;pp.1449-1454
Ligand Properties
Formula C42H45N8
Molecular Weight 661.860
Exact Mass 661.377
No. of atoms 95
No. of bonds 102
Polar Surface Area 111.55
LOGP Value 8.29      (Computed with XLOGP3)
9.28      (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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