Browse entries in the PDBbind-CN Database

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Related entries of code: 3rqw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4twdRCSB PDB    PDBbind307aa, >4TWD_1|Chains... at 99%
4z90RCSB PDB    PDBbind322aa, >4Z90_1|Chains... at 100%
5lg3RCSB PDB    PDBbind307aa, >5LG3_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2ha4RCSB PDB    PDBbindACH
2rinRCSB PDB    PDBbindACH
2xz5RCSB PDB    PDBbindACH

Entry Information
PDB ID3rqw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameELIC Pentameric Ligand Gated Ion Channel
Ligand NameACH
EC.Number E.C.-.-.-.-
Resolution 2.91(Å)
Affinity (Kd/Ki/IC50)Kd=2mM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Nat Commun Vol. 3: pp. 714-714
Ligand Properties
Formula C7H16NO2
Molecular Weight 146.207
Exact Mass 146.118
No. of atoms 26
No. of bonds 25
Polar Surface Area 26.3
LOGP Value 0.17      (Computed with XLOGP3)
0.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
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): E0SJQ4  
Entrez Gene IDNCBI Entrez Gene ID: 9735629  
ASDInformation of known allosteric effects of PDB entries

 
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