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Related entries of code: 5mk9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5m28RCSB PDB    PDBbind375aa, >5M28_1|Chain... at 100%
5mkaRCSB PDB    PDBbind379aa, >5MKA_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1dmbRCSB PDB    PDBbindBCD
2y4sRCSB PDB    PDBbindBCD
2zynRCSB PDB    PDBbindBCD
3ck8RCSB PDB    PDBbindBCD
3m3rRCSB PDB    PDBbindBCD
Entry Information
PDB ID5mk9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMalE1
Ligand NameBCD
EC.Number E.C.-.-.-.-
Resolution 0.92(Å)
Affinity (Kd/Ki/IC50)Kd=38uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Mol. Microbiol. Vol. 105: pp. 25-45
Ligand Properties
Formula C42H70O35
Molecular Weight 1134.980
Exact Mass 1134.370
No. of atoms 147
No. of bonds 154
Polar Surface Area 554.05
LOGP Value -15.02      (Computed with XLOGP3)
-15.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 21
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 28
No. of Nitrogen and Oxygen Atoms: 35
No. of Rings: 8
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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