Browse entries in the PDBbind-CN Database

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Related entries of code: 6ayi
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
6ayhRCSB PDB    PDBbindC3G

Entry Information
PDB ID6ayi
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHTH-type transcriptional regulator UidR
Ligand NameC3G
EC.Number E.C.-.-.-.-
Resolution 2.09(Å)
Affinity (Kd/Ki/IC50)Kd=0.21uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Proc. Natl. Acad. Sci. U.S.A. Vol. 115: pp. E152-E161
Ligand Properties
Formula C12H13NO9
Molecular Weight 315.233
Exact Mass 315.059
No. of atoms 35
No. of bonds 36
Polar Surface Area 162.27
LOGP Value 0.72      (Computed with XLOGP3)
-0.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 2
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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