Browse entries in the PDBbind-CN Database

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Related entries of code: 4qac
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1uv6RCSB PDB    PDBbind210aa, >1UV6_1|Chains... at 100%
1uw6RCSB PDB    PDBbind211aa, >1UW6_1|Chains... at 99%
2zjuRCSB PDB    PDBbind214aa, >2ZJU_1|Chains... at 97%
2zjvRCSB PDB    PDBbind214aa, >2ZJV_1|Chains... at 97%
3u8jRCSB PDB    PDBbind210aa, >3U8J_1|Chains... at 100%
3u8kRCSB PDB    PDBbind210aa, >3U8K_1|Chains... at 100%
3u8lRCSB PDB    PDBbind210aa, >3U8L_1|Chains... at 100%
3u8mRCSB PDB    PDBbind210aa, >3U8M_1|Chains... at 100%
3u8nRCSB PDB    PDBbind210aa, >3U8N_1|Chains... at 100%
3wthRCSB PDB    PDBbind214aa, >3WTH_1|Chains... at 96%
3wtiRCSB PDB    PDBbind214aa, >3WTI_1|Chains... at 96%
3wtjRCSB PDB    PDBbind214aa, >3WTJ_1|Chains... at 97%
3wtkRCSB PDB    PDBbind214aa, >3WTK_1|Chains... at 96%
3wtlRCSB PDB    PDBbind214aa, >3WTL_1|Chains... at 97%
3wtmRCSB PDB    PDBbind214aa, >3WTM_1|Chains... at 96%
3wtnRCSB PDB    PDBbind214aa, >3WTN_1|Chains... at 97%
3wtoRCSB PDB    PDBbind214aa, >3WTO_1|Chains... at 96%
3zdgRCSB PDB    PDBbind210aa, >3ZDG_1|Chains... at 100%
3zdhRCSB PDB    PDBbind210aa, >3ZDH_1|Chains... at 100%
4alxRCSB PDB    PDBbind229aa, >4ALX_1|Chains... *
4nzbRCSB PDB    PDBbind210aa, >4NZB_1|Chains... at 100%
4qaaRCSB PDB    PDBbind217aa, >4QAA_1|Chains... at 96%
4qabRCSB PDB    PDBbind217aa, >4QAB_1|Chains... at 96%
4um1RCSB PDB    PDBbind229aa, >4UM1_1|Chains... at 98%
4um3RCSB PDB    PDBbind229aa, >4UM3_3|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4qac
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAcetylcholine-binding protein AChBP
Ligand NameKK3
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=0.4nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Proc.Natl.Acad.Sci.USA Vol. 111: pp. 10749-10754
Ligand Properties
Formula C17H19F3N4
Molecular Weight 336.355
Exact Mass 336.156
No. of atoms 43
No. of bonds 45
Polar Surface Area 55.04
LOGP Value 4.14      (Computed with XLOGP3)
4.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
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): P58154  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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