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Related entries of code: 5hwv
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
4i7kRCSB PDB    PDBbindMBN
4w53RCSB PDB    PDBbindMBN

Entry Information
PDB ID5hwv
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameSensor histidine kinase TodS Per-Arnt-Sim (PAS) 1 sensor domain
Ligand NameMBN
EC.Number E.C.2.7.13.3
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Kd=8.5uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Biol.Chem. Vol.291. : pp. 8575-8590
Ligand Properties
Formula C7H8
Molecular Weight 92.138
Exact Mass 92.063
No. of atoms 15
No. of bonds 15
Polar Surface Area 0
LOGP Value 2.29      (Computed with XLOGP3)
2.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 0
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): A5W4E3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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