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Related entries of code: 4xmr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3f6gRCSB PDB    PDBbindILE
3f6hRCSB PDB    PDBbindILE
5yumRCSB PDB    PDBbindILE

Entry Information
PDB ID4xmr
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namesensory domain of the Campylobacter jejuni chemoreceptor Tlp3 (CcmL)
Ligand NameILE
EC.Number E.C.-.-.-.-
Resolution 1.3(Å)
Affinity (Kd/Ki/IC50)Kd=86uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acta Crystallogr.,Sect.D Vol. 71: pp. 2127-2136
Ligand Properties
Formula C6H14NO2
Molecular Weight 132.181
Exact Mass 132.102
No. of atoms 23
No. of bonds 22
Polar Surface Area 64.94
LOGP Value -0.79      (Computed with XLOGP3)
-0.27      (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: 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): Q0P864  
Entrez Gene IDNCBI Entrez Gene ID: 904333  
ASDInformation of known allosteric effects of PDB entries

 
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