Browse entries in the PDBbind-CN Database

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Related entries of code: 6pnn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yqmRCSB PDB    PDBbind244aa, >4YQM_1|Chains... *
4yquRCSB PDB    PDBbind244aa, >4YQU_1|Chains... at 100%
4yqvRCSB PDB    PDBbind244aa, >4YQV_1|Chains... at 100%
6pnmRCSB PDB    PDBbind240aa, >6PNM_1|Chain... at 100%
6mhdRCSB PDB    PDBbind244aa, >6MHD_1|Chains... at 100%
6mhcRCSB PDB    PDBbind244aa, >6MHC_1|Chains... at 100%
6mhbRCSB PDB    PDBbind244aa, >6MHB_1|Chains... at 100%
6pnoRCSB PDB    PDBbind240aa, >6PNO_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6pnn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman GSTO1-1
Ligand NameOR7
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=6.9uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2020) J.Med.Chem. Vol. : pp. 2894-2914
Ligand Properties
Formula C12H17ClN2O4S
Molecular Weight 320.792
Exact Mass 320.060
No. of atoms 37
No. of bonds 37
Polar Surface Area 84.09
LOGP Value 0.73      (Computed with XLOGP3)
2.72      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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): P78417  
Entrez Gene IDNCBI Entrez Gene ID: 9446  
ASDInformation of known allosteric effects of PDB entries
 
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