Browse entries in the PDBbind-CN Database

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Related entries of code: 4jmx
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
6iywRCSB PDB    PDBbindIM2

Entry Information
PDB ID4jmx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProbable L,D-transpeptidase LdtA
Ligand NameIM2
EC.Number E.C.-.-.-.-
Resolution 2.55(Å)
Affinity (Kd/Ki/IC50)Kd=62.1nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Acta Crystallogr.,Sect.D Vol. 69: pp. 1697-1706
Ligand Properties
Formula C9H13NO4S
Molecular Weight 231.269
Exact Mass 231.057
No. of atoms 28
No. of bonds 28
Polar Surface Area 125.43
LOGP Value 0.59      (Computed with XLOGP3)
0.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
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): O53638  
Entrez Gene IDNCBI Entrez Gene ID: 886900  
ASDInformation of known allosteric effects of PDB entries

 
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