Browse entries in the PDBbind-CN Database

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Related entries of code: 6fu4
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
1avnRCSB PDB    PDBbindHSM
1qftRCSB PDB    PDBbindHSM
3bu1RCSB PDB    PDBbindHSM
3rxhRCSB PDB    PDBbindHSM
6dynRCSB PDB    PDBbindHSM

Entry Information
PDB ID6fu4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTlpQ
Ligand NameHSM
EC.Number E.C.-.-.-.-
Resolution 2.45(Å)
Affinity (Kd/Ki/IC50)Kd=639nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) MBio Vol. 9: pp. 1-15
Ligand Properties
Formula C5H10N3
Molecular Weight 112.153
Exact Mass 112.087
No. of atoms 18
No. of bonds 18
Polar Surface Area 56.32
LOGP Value -0.58      (Computed with XLOGP3)
-0.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
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): Q9I0I4  
Entrez Gene IDNCBI Entrez Gene ID: 882363  
ASDInformation of known allosteric effects of PDB entries

 
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