Browse entries in the PDBbind-CN Database

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Related entries of code: 6f9g
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
1a99RCSB PDB    PDBbindPUT
3ttmRCSB PDB    PDBbindPUT

Entry Information
PDB ID6f9g
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMcpU-LBD
Ligand NamePUT
EC.Number E.C.-.-.-.-
Resolution 2.39(Å)
Affinity (Kd/Ki/IC50)Kd=2uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Mol. Biol. Vol. 430: pp. 1950-1963
Ligand Properties
Formula C4H14N2
Molecular Weight 90.167
Exact Mass 90.116
No. of atoms 20
No. of bonds 19
Polar Surface Area 55.28
LOGP Value -0.94      (Computed with XLOGP3)
-1.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
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): Q88NI1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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