Browse entries in the PDBbind-CN Database

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Related entries of code: 6eji
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
6egsRCSB PDB    PDBbindUD2

Entry Information
PDB ID6eji
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameWlaC protein
Ligand NameUD2
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=303uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Nat Commun Vol. 9: pp. 445-445
Ligand Properties
Formula C17H29N3O17P2
Molecular Weight 609.370
Exact Mass 609.097
No. of atoms 68
No. of bonds 70
Polar Surface Area 339.36
LOGP Value -6.80      (Computed with XLOGP3)
-5.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 3
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): Q0P9C5  O86151  
Entrez Gene IDNCBI Entrez Gene ID: 905420  
ASDInformation of known allosteric effects of PDB entries

 
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