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Related entries of code: 5htl
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
1w25RCSB PDB    PDBbindC2E
2v0nRCSB PDB    PDBbindC2E
3hv8RCSB PDB    PDBbindC2E
3pjtRCSB PDB    PDBbindC2E
3pjuRCSB PDB    PDBbindC2E
3qyyRCSB PDB    PDBbindC2E
4dn0RCSB PDB    PDBbindC2E
4ef4RCSB PDB    PDBbindC2E
4emtRCSB PDB    PDBbindC2E
4etzRCSB PDB    PDBbindC2E
4eu0RCSB PDB    PDBbindC2E
4euvRCSB PDB    PDBbindC2E
4f3hRCSB PDB    PDBbindC2E
4f5yRCSB PDB    PDBbindC2E
4f9gRCSB PDB    PDBbindC2E
4kbyRCSB PDB    PDBbindC2E
4lj3RCSB PDB    PDBbindC2E
4oazRCSB PDB    PDBbindC2E
4p00RCSB PDB    PDBbindC2E
4p02RCSB PDB    PDBbindC2E
4rt0RCSB PDB    PDBbindC2E
4rt1RCSB PDB    PDBbindC2E
5ejlRCSB PDB    PDBbindC2E
5exxRCSB PDB    PDBbindC2E
5khdRCSB PDB    PDBbindC2E
5tzdRCSB PDB    PDBbindC2E
5tzfRCSB PDB    PDBbindC2E
5tzgRCSB PDB    PDBbindC2E
6pfjRCSB PDB    PDBbindC2E
6a04RCSB PDB    PDBbindC2E
5y6gRCSB PDB    PDBbindC2E
5y6fRCSB PDB    PDBbindC2E
5xbtRCSB PDB    PDBbindC2E
Entry Information
PDB ID5htl
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMSHA biogenesis protein MshE
Ligand NameC2E
EC.Number E.C.-.-.-.-
Resolution 1.37(Å)
Affinity (Kd/Ki/IC50)Kd=0.5uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nat Commun Vol. 7: pp. 1-12
Ligand Properties
Formula C20H26N10O14P2
Molecular Weight 692.427
Exact Mass 692.111
No. of atoms 72
No. of bonds 78
Polar Surface Area 383.12
LOGP Value -6.93      (Computed with XLOGP3)
-2.76      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 7
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): Q9KUV7  
Entrez Gene IDNCBI Entrez Gene ID: 57739144  
ASDInformation of known allosteric effects of PDB entries
 
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