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Related entries of code: 5mka
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5m28RCSB PDB    PDBbind375aa, >5M28_1|Chain... at 100%
5mk9RCSB PDB    PDBbind379aa, >5MK9_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5mka
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMalE1
Ligand NameRCD
EC.Number E.C.-.-.-.-
Resolution 1.15(Å)
Affinity (Kd/Ki/IC50)Kd=49uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Mol. Microbiol. Vol. 105: pp. 25-45
Ligand Properties
Formula C48H80O40
Molecular Weight 1297.120
Exact Mass 1296.420
No. of atoms 168
No. of bonds 176
Polar Surface Area 633.2
LOGP Value -17.16      (Computed with XLOGP3)
-17.41      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 24
No. of Hydrogen Bond Acceptors: 24
No. of Rotatable Bonds: 32
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 9
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): B0L7B0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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