Browse entries in the PDBbind-CN Database

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Related entries of code: 4fe9
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
3k00RCSB PDB    PDBbindMTT

Entry Information
PDB ID4fe9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameOuter membrane protein SusF
Ligand NameMTT
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=990.1uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Biol.Chem. Vol. 287: pp. 34614-34625
Ligand Properties
Formula C24H42O21
Molecular Weight 666.578
Exact Mass 666.222
No. of atoms 87
No. of bonds 90
Polar Surface Area 347.83
LOGP Value -9.02      (Computed with XLOGP3)
-9.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 24
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 4
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): G8JZS6  
Entrez Gene IDNCBI Entrez Gene ID: 60924868  
ASDInformation of known allosteric effects of PDB entries

 
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