Browse entries in the PDBbind-CN Database

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Related entries of code: 3f8f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3f8cRCSB PDB    PDBbind126aa, >3F8C_1|Chain... *
4zzdRCSB PDB    PDBbind116aa, >4ZZD_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3f8f
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameLmrR
Ligand NameDM1
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=236nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Embo J.
Ligand Properties
Formula C27H30NO10
Molecular Weight 528.528
Exact Mass 528.187
No. of atoms 68
No. of bonds 72
Polar Surface Area 187.46
LOGP Value 1.32      (Computed with XLOGP3)
0.31      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 5
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): A2RI36  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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