Browse entries in the PDBbind-CN Database

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Related entries of code: 2c80
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1oe7RCSB PDB    PDBbind211aa, >1OE7_1|Chains... *
1oe8RCSB PDB    PDBbind211aa, >1OE8_1|Chains... at 100%
2ca8RCSB PDB    PDBbind211aa, >2CA8_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ydkRCSB PDB    PDBbindGTX
2j9hRCSB PDB    PDBbindGTX
5kejRCSB PDB    PDBbindGTX
Entry Information
PDB ID2c80
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameglutathione s-transferase 28 kda
Ligand NameGTX
EC.Number E.C.2.5.1.18
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=4.7uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol.v360;pp.678
Ligand Properties
Formula C16H30N3O6S
Molecular Weight 392.491
Exact Mass 392.186
No. of atoms 56
No. of bonds 55
Polar Surface Area 185.74
LOGP Value -0.03      (Computed with XLOGP3)
0.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 9
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): P30113  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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