Browse entries in the PDBbind-CN Database

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Related entries of code: 4tpk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2wigRCSB PDB    PDBbind529aa, >2WIG_1|Chain... at 99%
2wijRCSB PDB    PDBbind529aa, >2WIJ_1|Chain... at 99%
2wikRCSB PDB    PDBbind529aa, >2WIK_1|Chain... at 99%
4bdsRCSB PDB    PDBbind529aa, >4BDS_1|Chain... at 99%
4xiiRCSB PDB    PDBbind544aa, >4XII_1|Chains... at 100%
5dytRCSB PDB    PDBbind530aa, >5DYT_1|Chains... at 100%
5dywRCSB PDB    PDBbind530aa, >5DYW_1|Chains... at 100%
5dyyRCSB PDB    PDBbind530aa, >5DYY_1|Chains... at 100%
5k5eRCSB PDB    PDBbind529aa, >5K5E_1|Chains... at 100%
5lkrRCSB PDB    PDBbind574aa, >5LKR_1|Chains... at 100%
5nn0RCSB PDB    PDBbind529aa, >5NN0_1|Chain... at 99%
6ep4RCSB PDB    PDBbind529aa, >6EP4_1|Chain... at 99%
6eqpRCSB PDB    PDBbind529aa, >6EQP_1|Chain... at 99%
6esjRCSB PDB    PDBbind529aa, >6ESJ_1|Chains... at 100%
6esyRCSB PDB    PDBbind529aa, >6ESY_1|Chains... at 100%
6f7qRCSB PDB    PDBbind529aa, >6F7Q_1|Chains... at 100%
6qaeRCSB PDB    PDBbind557aa, >6QAE_1|Chain... at 99%
6qadRCSB PDB    PDBbind557aa, >6QAD_1|Chain... at 99%
6qacRCSB PDB    PDBbind557aa, >6QAC_1|Chain... at 99%
6qabRCSB PDB    PDBbind557aa, >6QAB_1|Chain... at 99%
6qaaRCSB PDB    PDBbind557aa, >6QAA_1|Chain... at 99%
6i0cRCSB PDB    PDBbind529aa, >6I0C_1|Chain... at 99%
6i0bRCSB PDB    PDBbind529aa, >6I0B_1|Chain... 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 ID4tpk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCholinesterase BChE
Ligand Name3F9
EC.Number E.C.3.1.1.8
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)Ki=2.71nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 8167-8179
Ligand Properties
Formula C29H35N2O2
Molecular Weight 443.600
Exact Mass 443.270
No. of atoms 68
No. of bonds 72
Polar Surface Area 33.98
LOGP Value 5.32      (Computed with XLOGP3)
4.96      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 4
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): P06276  
Entrez Gene IDNCBI Entrez Gene ID: 590  
ASDInformation of known allosteric effects of PDB entries
 
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