Browse entries in the PDBbind-CN Database

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Related entries of code: 4fem
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
2zymRCSB PDB    PDBbindACX
3ck7RCSB PDB    PDBbindACX
3zstRCSB PDB    PDBbindACX

Entry Information
PDB ID4fem
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameOuter membrane protein SusE
Ligand NameACX
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=86.96uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Biol.Chem. Vol. 287: pp. 34614-34625
Ligand Properties
Formula C36H60O30
Molecular Weight 972.844
Exact Mass 972.317
No. of atoms 126
No. of bonds 132
Polar Surface Area 474.9
LOGP Value -12.87      (Computed with XLOGP3)
-13.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 24
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 7
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): G8JZT0  
Entrez Gene IDNCBI Entrez Gene ID: 60924869  
ASDInformation of known allosteric effects of PDB entries

 
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