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Related entries of code: 3m8u
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
3gx0RCSB PDB    PDBbindGDS
4c0rRCSB PDB    PDBbindGDS
4f0cRCSB PDB    PDBbindGDS
4zb6RCSB PDB    PDBbindGDS
4zb8RCSB PDB    PDBbindGDS
4zbaRCSB PDB    PDBbindGDS
Entry Information
PDB ID3m8u
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameglutathione-binding protein A (GbpA) from Haemophilus parasuis SH0165
Ligand NameGDS
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Kd=12.9uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Proc.Natl.Acad.Sci.USA Vol. 107: pp. 13270-13275
Ligand Properties
Formula C20H34N6O12S2
Molecular Weight 614.647
Exact Mass 614.168
No. of atoms 74
No. of bonds 73
Polar Surface Area 371.48
LOGP Value -5.58      (Computed with XLOGP3)
-3.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 18
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): B8F653  
Entrez Gene IDNCBI Entrez Gene ID: 7278927  
ASDInformation of known allosteric effects of PDB entries
 
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