Browse entries in the PDBbind-CN Database

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Related entries of code: 6k4x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6k4tRCSB PDB    PDBbind262aa, >6K4T_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 ID6k4x
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSMB-1
Ligand NameD0U
EC.Number E.C.-.-.-.-
Resolution 1.17(Å)
Affinity (Kd/Ki/IC50)IC50=0.22uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Antimicrob.Agents Chemother. Vol. 63: pp. -
Ligand Properties
Formula C7H7NO2S
Molecular Weight 169.201
Exact Mass 169.020
No. of atoms 18
No. of bonds 18
Polar Surface Area 102.12
LOGP Value 2.00      (Computed with XLOGP3)
1.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
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): G5ELM3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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