Browse entries in the PDBbind-CN Database

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Related entries of code: 4gbd
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
3ewcRCSB PDB    PDBbindMCF

Entry Information
PDB ID4gbd
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePutative uncharacterized protein
Ligand NameMCF
EC.Number E.C.-.-.-.-
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)Ki=0.0048nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry Vol. 51: pp. 9094-9103
Ligand Properties
Formula C12H18N4O4S
Molecular Weight 314.361
Exact Mass 314.105
No. of atoms 39
No. of bonds 41
Polar Surface Area 137.43
LOGP Value -2.26      (Computed with XLOGP3)
-1.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
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): Q9HZ64  
Entrez Gene IDNCBI Entrez Gene ID: 882672  
ASDInformation of known allosteric effects of PDB entries

 
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