Browse entries in the PDBbind-CN Database

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Related entries of code: 1ydk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1gsfRCSB PDB    PDBbind221aa, >1GSF_1|Chains... at 99%
4hj2RCSB PDB    PDBbind217aa, >4HJ2_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2c80RCSB PDB    PDBbindGTX
2j9hRCSB PDB    PDBbindGTX
5kejRCSB PDB    PDBbindGTX

Entry Information
PDB ID1ydk
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameglutathione s-transferase
Ligand NameGTX
EC.Number E.C.
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Kd=1.3uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v349 pp. 825-38, 2005
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): P08263  
Entrez Gene IDNCBI Entrez Gene ID: 2938  
ASDInformation of known allosteric effects of PDB entries

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