Browse entries in the PDBbind-CN Database

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Related entries of code: 4aft
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2byrRCSB PDB    PDBbind227aa, >2BYR_1|Chains... at 95%
2bysRCSB PDB    PDBbind227aa, >2BYS_1|Chains... at 95%
2pgzRCSB PDB    PDBbind230aa, >2PGZ_1|Chains... at 94%
2ph9RCSB PDB    PDBbind230aa, >2PH9_1|Chains... at 94%
2w8fRCSB PDB    PDBbind217aa, >2W8F_1|Chains... at 100%
2w8gRCSB PDB    PDBbind217aa, >2W8G_1|Chains... at 100%
2wn9RCSB PDB    PDBbind228aa, >2WN9_1|Chains... at 95%
2wncRCSB PDB    PDBbind227aa, >2WNC_1|Chains... at 95%
2wnjRCSB PDB    PDBbind228aa, >2WNJ_1|Chains... at 95%
2wnlRCSB PDB    PDBbind227aa, >2WNL_1|Chains... at 95%
2wzyRCSB PDB    PDBbind228aa, >2WZY_1|Chains... at 95%
2x00RCSB PDB    PDBbind227aa, >2X00_2|Chain... at 95%
2xysRCSB PDB    PDBbind217aa, >2XYS_1|Chains... at 100%
2xytRCSB PDB    PDBbind217aa, >2XYT_1|Chains... at 100%
2xz5RCSB PDB    PDBbind217aa, >2XZ5_1|Chains... at 99%
2y54RCSB PDB    PDBbind217aa, >2Y54_1|Chains... at 100%
2y56RCSB PDB    PDBbind217aa, >2Y56_1|Chains... at 100%
2y57RCSB PDB    PDBbind217aa, >2Y57_1|Chains... at 100%
2y58RCSB PDB    PDBbind217aa, >2Y58_1|Chains... at 100%
2ymdRCSB PDB    PDBbind212aa, >2YMD_1|Chains... at 98%
2ymeRCSB PDB    PDBbind205aa, >2YME_1|Chains... at 99%
3c79RCSB PDB    PDBbind227aa, >3C79_1|Chains... at 95%
3c84RCSB PDB    PDBbind227aa, >3C84_1|Chains... at 95%
4bqtRCSB PDB    PDBbind217aa, >4BQT_1|Chains... at 100%
4dbmRCSB PDB    PDBbind230aa, >4DBM_1|Chains... at 94%
4xheRCSB PDB    PDBbind217aa, >4XHE_1|Chains... at 94%
4xk9RCSB PDB    PDBbind228aa, >4XK9_1|Chains... at 95%
5lxbRCSB PDB    PDBbind242aa, >5LXB_1|Chains... at 99%
5obgRCSB PDB    PDBbind249aa, >5OBG_1|Chains... at 96%
5oajRCSB PDB    PDBbind249aa, >5OAJ_1|Chains... at 97%
5o8tRCSB PDB    PDBbind249aa, >5O8T_1|Chains... at 100%
5o87RCSB PDB    PDBbind249aa, >5O87_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4afgRCSB PDB    PDBbindQMR
Entry Information
PDB ID4aft
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAplysia californica acetylcholine-binding protein (AChBP)
Ligand NameQMR
EC.Number E.C.-.-.-.-
Resolution 3.2(Å)
Affinity (Kd/Ki/IC50)Kd=342nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Biol.Chem. Vol. 287: pp. 23283
Ligand Properties
Formula C13H14N3
Molecular Weight 212.270
Exact Mass 212.119
No. of atoms 30
No. of bonds 33
Polar Surface Area 42.39
LOGP Value 0.79      (Computed with XLOGP3)
2.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
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): Q8WSF8  
Entrez Gene IDNCBI Entrez Gene ID: 100533247  
ASDInformation of known allosteric effects of PDB entries
 
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